Punctaporonin N (CHEBI:203690)

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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	Punctaporonin N

ChEBI ID	CHEBI:203690

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O4

Net Charge

Average Mass

266.337

Monoisotopic Mass

266.15181

InChI

InChI=1S/C15H22O4/c1-12(2)6-9-14(8-16)5-4-10(17)13(14,3)7-11(18)15(9,12)19/h4-5,9,11,16,18-19H,6-8H2,1-3H3/t9-,11+,13-,14+,15-/m1/s1

InChIKey

ACESEDZONNAREN-ONWSUVHQSA-N

SMILES

O=C1C=C[C@]2([C@@]1(C[C@H](O)[C@@]3([C@@H]2CC3(C)C)O)C)CO

Metabolite of Species	Details
Pestalotiopsisspecies (NCBI:txid36460)	See: DOI

ChEBI Ontology
Outgoing	Punctaporonin N (CHEBI:203690) is a tertiary alcohol (CHEBI:26878)

IUPAC Name

(2aS,3S,4aS,7aS,7bR)-2a,3-dihydroxy-7a-(hydroxymethyl)-2,2,4a-trimethyl-1,3,4,7b-tetrahydrocyclobuta[e]inden-5-one