6,13-dihydroxypunctaporonin A (CHEBI:213575)

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CHEBI:213575 - 6,13-dihydroxypunctaporonin A

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ChEBI ID	CHEBI:213575
ChEBI Name	6,13-dihydroxypunctaporonin A
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@@]1(O)[C@@H](O)C[C@]1(C)[C@H](O)C=C[C@]21CO
InChI	InChI=1S/C15H24O5/c1-12(7-16)5-9-14(8-17)4-3-10(18)13(14,2)6-11(19)15(9,12)20/h3-4,9-11,16-20H,5-8H2,1-2H3/t9-,10-,11+,12-,13-,14+,15-/m1/s1
InChIKey	MTICTULSJVBRKF-LLMNZUDISA-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 A (CHEBI:213575) is a tertiary alcohol (CHEBI:26878)

IUPAC Name
(2R,2aS,3S,4aS,5R,7aS,7bR)-2,7a-bis(hydroxymethyl)-2,4a-dimethyl-3,4,5,7b-tetrahydro-1H-cyclobuta[e]indene-2a,3,5-triol

Manual Xrefs	Databases
78442247	ChemSpider