(3S,7R)-11-hydroxy-15-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),4,10,14(19),15,17-heptaen-13-one (CHEBI:201261)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(3S,7R)-11-hydroxy-15-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),4,10,14(19),15,17-heptaen-13-one

ChEBI ID	CHEBI:201261

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H12O6

Net Charge

Average Mass

324.288

Monoisotopic Mass

324.06339

InChI

InChI=1S/C18H12O6/c1-21-10-3-2-4-11-15(10)16(20)14-9(19)7-12-13(17(14)23-11)8-5-6-22-18(8)24-12/h2-8,18-19H,1H3/t8-,18+/m0/s1

InChIKey

JFHROJUPZOOWGZ-DCXZOGHSSA-N

SMILES

O=C1C2=C(OC3=C1C(O)=CC4=C3[C@@H]5C=CO[C@@H]5O4)C=CC=C2OC

Metabolite of Species	Details
Aschersonia (NCBI:txid100986)	See: DOI

Roles Classification
Biological Role(s):	mycotoxin Poisonous substance produced by fungi. (via sterigmatocystins )

ChEBI Ontology
Outgoing	(3S,7R)-11-hydroxy-15-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),4,10,14(19),15,17-heptaen-13-one (CHEBI:201261) is a sterigmatocystins (CHEBI:26759)

IUPAC Name

(3S,7R)-11-hydroxy-15-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),4,10,14(19),15,17-heptaen-13-one