(3S,7R)-15,18-dihydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one (CHEBI:200754)

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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)-15,18-dihydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one

ChEBI ID	CHEBI:200754

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H12O7

Net Charge

Average Mass

340.287

Monoisotopic Mass

340.05830

InChI

InChI=1S/C18H12O7/c1-22-10-6-11-12(7-4-5-23-18(7)24-11)17-14(10)15(21)13-8(19)2-3-9(20)16(13)25-17/h2-7,18-20H,1H3/t7-,18+/m0/s1

InChIKey

DLFUWLRKJWSZMW-ULCDLSAGSA-N

SMILES

O=C1C2=C(OC3=C1C(O)=CC=C3O)C4=C(O[C@@H]5[C@H]4C=CO5)C=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)-15,18-dihydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one (CHEBI:200754) is a sterigmatocystins (CHEBI:26759)

IUPAC Name

(3S,7R)-15,18-dihydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one