3,4,5-trihydroxy-6-({15-hydroxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-11-yl}oxy)oxane-2-carboxylic acid (CHEBI:193514)

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CHEBI:193514 - 3,4,5-trihydroxy-6-({15-hydroxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-11-yl}oxy)oxane-2-carboxylic acid

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ChEBI ID	CHEBI:193514
ChEBI Name	3,4,5-trihydroxy-6-({15-hydroxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-11-yl}oxy)oxane-2-carboxylic acid
Stars
Submitter	mwilliams
Downloads	Molfile

Formula	C23H18O12
Net Charge	0
Average Mass	486.385
Monoisotopic Mass	486.07983
SMILES	O=C(O)C1OC(Oc2cc3c(c4oc5cccc(O)c5c(=O)c24)C2C=COC2O3)C(O)C(O)C1O
InChI	InChI=1S/C23H18O12/c24-8-2-1-3-9-13(8)15(25)14-11(34-23-18(28)16(26)17(27)20(35-23)21(29)30)6-10-12(19(14)32-9)7-4-5-31-22(7)33-10/h1-7,16-18,20,22-24,26-28H,(H,29,30)
InChIKey	OZQCJLVYNMRZKA-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	feces (BTO:0000440)	MetaboLights (MTBLS5335)

Roles Classification

Biological Role:

mycotoxin Poisonous substance produced by fungi.

ChEBI Ontology

Outgoing Relation(s)
	3,4,5-trihydroxy-6-({15-hydroxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-11-yl}oxy)oxane-2-carboxylic acid (CHEBI:193514) is a sterigmatocystins (CHEBI:26759)