6,13-dihydroxypunctaporonin B (CHEBI:203439)

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CHEBI:203439 - 6,13-dihydroxypunctaporonin B

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ChEBI ID	CHEBI:203439
ChEBI Name	6,13-dihydroxypunctaporonin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H24O5
Net Charge	0
Average Mass	284.352
Monoisotopic Mass	284.16237
SMILES	C[C@]1(CO)C[C@@H]2/C(CO)=C\C=C/[C@@](C)(O)C[C@H](O)[C@]21O
InChI	InChI=1S/C15H24O5/c1-13(9-17)6-11-10(8-16)4-3-5-14(2,19)7-12(18)15(11,13)20/h3-5,11-12,16-20H,6-9H2,1-2H3/b5-3-,10-4-/t11-,12+,13-,14-,15-/m1/s1
InChIKey	OMAVQHVNZBZVDT-JOSLDIJJSA-N

Species of Metabolite	Component	Source	Comments
Pestalotiopsisspecies (ncbitaxon:36460)	-	DOI (10.1016/j.phytol.2016.05.001)

ChEBI Ontology

Outgoing Relation(s)
	6,13-dihydroxypunctaporonin B (CHEBI:203439) is a tertiary alcohol (CHEBI:26878)

IUPAC Name
(1S,2S,4S,5Z,7E,9R,11R)-8,11-bis(hydroxymethyl)-4,11-dimethylbicyclo[7.2.0]undeca-5,7-diene-1,2,4-triol

Manual Xrefs	Databases
78442236	ChemSpider