Punctatin A (CHEBI:200093)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Punctatin A

ChEBI ID	CHEBI:200093

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H24O3

Net Charge

Average Mass

252.354

Monoisotopic Mass

252.17254

InChI

InChI=1S/C15H24O3/c1-12(2)8-10-14(9-16)5-4-11(17)13(14,3)6-7-15(10,12)18/h4-5,10-11,16-18H,6-9H2,1-3H3/t10-,11-,13-,14+,15+/m1/s1

InChIKey

ZVIVLLOEKSFGMG-YXRJLALLSA-N

SMILES

O[C@]12C(C[C@@H]1[C@]3(C=C[C@H]([C@@]3(C)CC2)O)CO)(C)C

Metabolite of Species	Details
Poronia punctata (NCBI:txid101475)	See: DOI

ChEBI Ontology
Outgoing	Punctatin A (CHEBI:200093) is a tertiary alcohol (CHEBI:26878)

IUPAC Name

(2aS,4aS,5R,7aS,7bR)-7a-(hydroxymethyl)-2,2,4a-trimethyl-3,4,5,7b-tetrahydro-1H-cyclobuta[e]indene-2a,5-diol