Furanospartinol (CHEBI:212905)

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CHEBI:212905 - Furanospartinol

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ChEBI ID	CHEBI:212905
ChEBI Name	Furanospartinol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H30O4
Net Charge	0
Average Mass	334.456
Monoisotopic Mass	334.21441
SMILES	CCC(C)/C=C/C=C/C=C/[C@H]1C=C[C@H](O)[C@H]2O[C@](C)(OC)[C@@H](O)[C@@H]21
InChI	InChI=1S/C20H30O4/c1-5-14(2)10-8-6-7-9-11-15-12-13-16(21)18-17(15)19(22)20(3,23-4)24-18/h6-19,21-22H,5H2,1-4H3/b7-6+,10-8+,11-9+/t14?,15-,16-,17+,18+,19-,20-/m0/s1
InChIKey	LTZUEPASRMEDRQ-XZAFNVDMSA-N

Species of Metabolite	Component	Source	Comments
Phaeosphaeriaspeciesrtinae (ncbitaxon:113243)	-	DOI (10.1177/1934578x1501000427)

ChEBI Ontology

Outgoing Relation(s)
	Furanospartinol (CHEBI:212905) is a benzofurans (CHEBI:35259)

IUPAC Name
(2S,3S,3aS,4S,7S,7aS)-2-methoxy-2-methyl-4-[(1E,3E,5E)-7-methylnona-1,3,5-trienyl]-3a,4,7,7a-tetrahydro-3H-1-benzouran-3,7-diol

Manual Xrefs	Databases
40256915	ChemSpider