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aflatoxin Q1

Properties

Image

Occurences in reactions

MNX_ID

MNXM15767

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	2

formula

C₁₇H₁₂O₇

charge

mass

328.0583

reference

InChIKey

GYNOTJLCULOEIM-XKRJZGAWSA-N

InChI

InChI=1S/C17H12O7/c1-21-9-5-10-11(6-2-3-22-17(6)23-10)15-14(9)12-7(18)4-8(19)13(12)16(20)24-15/h2-3,5-7,17-18H,4H2,1H3/t6-,7-,17+/m0/s1

SMILES

COc1cc2c(c3oc(=O)c4c(c13)[C@@H](O)CC4=O)[C@@H]1C=CO[C@@H]1O2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-5423660 reactomeM:R-ALL-5423660 CHEBI:78582 chebi:78582	aflatoxin Q1 (3S,6aR,9aS)-3-hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione AFQ1
sabiork.compound:29703 sabiorkM:29703 seed.compound:cpd20839 seedM:cpd20839 kegg.compound:C19585 keggC:C19585	Aflatoxin Q1
hmdb:HMDB0030753	Aflatoxin Q1 14-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.0²,⁹.0³,⁷.0¹³,¹⁷]nonadeca-1(12),2(9),4,10,13(17)-pentaene-16,18-dione
hmdb:HMDB30753 keggC:M_C19585 seedM:M_cpd20839	secondary/obsolete/fantasy identifier