KHELLOSIDE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H20O10
Molecular Weight	408.3561
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of KHELLOSIDE

Structure Search

SMILES

COC1=C2C=COC2=CC3=C1C(=O)C=C(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O3

InChI

InChIKey=SJRACCTZSAUMGO-WIMVFMHDSA-N

InChI=1S/C19H20O10/c1-25-18-9-2-3-26-11(9)5-12-14(18)10(21)4-8(28-12)7-27-19-17(24)16(23)15(22)13(6-20)29-19/h2-5,13,15-17,19-20,22-24H,6-7H2,1H3/t13-,15-,16+,17-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H20O10
Molecular Weight	408.3561
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:08:39 UTC 2023` Edited by `admin` on `Fri Dec 15 15:08:39 UTC 2023`
Record UNII	ZX4FRZ5WJP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KHELLOSIDE

Official Name

English

NSC-82907

Code

English

khelloside [INN]

Common Name

English

KHELLENIN

Common Name

English

KHELLOLGLUCOSIDE

Common Name

English

KHELLOL GLUCOSIDE [MI]

Common Name

English

7-HYDROXYMETHYL-4-METHOXY-5H-FURO(3,2-G)(1)BENZOPYRAN-5-ONE GLUCOSIDE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29703

Created by admin on Fri Dec 15 15:08:39 UTC 2023 , Edited by admin on Fri Dec 15 15:08:39 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C83858

Created by admin on Fri Dec 15 15:08:39 UTC 2023 , Edited by admin on Fri Dec 15 15:08:39 UTC 2023

PRIMARY

EPA CompTox

DTXSID40878402

Created by admin on Fri Dec 15 15:08:39 UTC 2023 , Edited by admin on Fri Dec 15 15:08:39 UTC 2023

PRIMARY

PUBCHEM

441966

Created by admin on Fri Dec 15 15:08:39 UTC 2023 , Edited by admin on Fri Dec 15 15:08:39 UTC 2023

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MERCK INDEX

m254

Created by admin on Fri Dec 15 15:08:39 UTC 2023 , Edited by admin on Fri Dec 15 15:08:39 UTC 2023

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Merck Index

CAS

17226-75-4

Created by admin on Fri Dec 15 15:08:39 UTC 2023 , Edited by admin on Fri Dec 15 15:08:39 UTC 2023

PRIMARY

MESH

C047312

Created by admin on Fri Dec 15 15:08:39 UTC 2023 , Edited by admin on Fri Dec 15 15:08:39 UTC 2023

PRIMARY

INN

191

Created by admin on Fri Dec 15 15:08:39 UTC 2023 , Edited by admin on Fri Dec 15 15:08:39 UTC 2023

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FDA UNII

ZX4FRZ5WJP

Created by admin on Fri Dec 15 15:08:39 UTC 2023 , Edited by admin on Fri Dec 15 15:08:39 UTC 2023

PRIMARY

EVMPD

SUB08381MIG

Created by admin on Fri Dec 15 15:08:39 UTC 2023 , Edited by admin on Fri Dec 15 15:08:39 UTC 2023

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ChEMBL

CHEMBL2107506

Created by admin on Fri Dec 15 15:08:39 UTC 2023 , Edited by admin on Fri Dec 15 15:08:39 UTC 2023

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ECHA (EC/EINECS)

241-263-3

Created by admin on Fri Dec 15 15:08:39 UTC 2023 , Edited by admin on Fri Dec 15 15:08:39 UTC 2023

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NSC

82907

Created by admin on Fri Dec 15 15:08:39 UTC 2023 , Edited by admin on Fri Dec 15 15:08:39 UTC 2023

PRIMARY

SMS_ID

100000083099

Created by admin on Fri Dec 15 15:08:39 UTC 2023 , Edited by admin on Fri Dec 15 15:08:39 UTC 2023

PRIMARY

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