6-hydroxypunctaporonin E (CHEBI:209958)

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CHEBI:209958 - 6-hydroxypunctaporonin E

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ChEBI ID	CHEBI:209958
ChEBI Name	6-hydroxypunctaporonin E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H24O4
Net Charge	0
Average Mass	268.353
Monoisotopic Mass	268.16746
SMILES	CC1(C)C[C@H]2[C@@]1(O)[C@@H](O)C[C@]1(C)C=C[C@@H](O)[C@]21CO
InChI	InChI=1S/C15H24O4/c1-12(2)6-9-14(8-16)10(17)4-5-13(14,3)7-11(18)15(9,12)19/h4-5,9-11,16-19H,6-8H2,1-3H3/t9-,10-,11+,13+,14+,15-/m1/s1
InChIKey	BHYNWCIZAMGPRG-FPPVMWEASA-N

Species of Metabolite	Component	Source	Comments
Pestalotiopsis disseminata (ncbitaxon:173182)	-	PubMed (16643036)

ChEBI Ontology

Outgoing Relation(s)
	6-hydroxypunctaporonin E (CHEBI:209958) is a tertiary alcohol (CHEBI:26878)

IUPAC Name
(2aS,3S,4aR,7R,7aR,7bR)-7a-(hydroxymethyl)-2,2,4a-trimethyl-3,4,7,7b-tetrahydro-1H-cyclobuta[g]indene-2a,3,7-triol

Manual Xrefs	Databases
9754645	ChemSpider