(3aS,9R,9aS)-1(9a),3(3a),9-hexahydromonosporascone (CHEBI:208977)

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CHEBI:208977 - (3aS,9R,9aS)-1(9a),3(3a),9-hexahydromonosporascone

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ChEBI ID	CHEBI:208977
ChEBI Name	(3aS,9R,9aS)-1(9a),3(3a),9-hexahydromonosporascone
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Submitter	MetaboLights
Downloads	Molfile

Formula	C13H14O5
Net Charge	0
Average Mass	250.250
Monoisotopic Mass	250.08412
SMILES	COc1cc(O)c2c(c1)[C@H](O)[C@@H]1COC[C@H]1C2=O
InChI	InChI=1S/C13H14O5/c1-17-6-2-7-11(10(14)3-6)13(16)9-5-18-4-8(9)12(7)15/h2-3,8-9,12,14-15H,4-5H2,1H3/t8-,9-,12+/m1/s1
InChIKey	MQENMJTUAASQHA-LNLATYFQSA-N

Species of Metabolite	Component	Source	Comments
Teratosphaeria (ncbitaxon:237584)	-	PubMed (29373790)

ChEBI Ontology

Outgoing Relation(s)
	(3aS,9R,9aS)-1(9a),3(3a),9-hexahydromonosporascone (CHEBI:208977) is a naphthofuran (CHEBI:39270)

IUPAC Name
(3aS,4R,9aS)-4,8-dihydroxy-6-methoxy-3,3a,4,9a-tetrahydro-1H-benzo[][2]benzouran-9-one

Manual Xrefs	Databases
78443333	ChemSpider