Anthrotainin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H17NO9
Molecular Weight	415.3503
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(O)=C2C(=C1)C=C3C[C@]4(O)CC(=O)C(C(N)=O)=C(O)[C@]4(O)C(=O)C3=C2O

InChI

InChIKey=HWLAJZAXDIBLQS-VQTJNVASSA-N

InChI=1S/C20H17NO9/c1-30-9-3-7-2-8-5-19(28)6-11(23)14(18(21)27)17(26)20(19,29)16(25)13(8)15(24)12(7)10(22)4-9/h2-4,22,24,26,28-29H,5-6H2,1H3,(H2,21,27)/t19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H17NO9
Molecular Weight	415.3503
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:13:44 GMT 2025` Edited by `admin` on `Mon Mar 31 22:13:44 GMT 2025`
Record UNII	KV5M3D6H4D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Anthrotainin

Common Name

English

(4aS,12aS)-1,4a,10,11,12a-pentahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracene-2-carboxamide

Preferred Name

English

Code System Code Type Description

PUBCHEM

54693031

Created by admin on Mon Mar 31 22:13:44 GMT 2025 , Edited by admin on Mon Mar 31 22:13:44 GMT 2025

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EPA CompTox

DTXSID70163878

Created by admin on Mon Mar 31 22:13:44 GMT 2025 , Edited by admin on Mon Mar 31 22:13:44 GMT 2025

PRIMARY

FDA UNII

KV5M3D6H4D

Created by admin on Mon Mar 31 22:13:44 GMT 2025 , Edited by admin on Mon Mar 31 22:13:44 GMT 2025

PRIMARY

CAS

148084-40-6

Created by admin on Mon Mar 31 22:13:44 GMT 2025 , Edited by admin on Mon Mar 31 22:13:44 GMT 2025

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