Punctaporonin M (CHEBI:213828)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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 M

ChEBI ID	CHEBI:213828

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H26O5

Net Charge

Average Mass

310.390

Monoisotopic Mass

310.17802

InChI

InChI=1S/C17H26O5/c1-10(19)22-13-8-15(4)12(20)5-6-16(15,9-18)11-7-14(2,3)17(11,13)21/h5-6,11-13,18,20-21H,7-9H2,1-4H3/t11-,12+,13+,15-,16+,17-/m1/s1

InChIKey

FBCKZULQEBGDTA-BSWAFRJZSA-N

SMILES

O=C(O[C@@H]1[C@@]2(O)C(C[C@@H]2[C@]3(C=C[C@@H]([C@]3(C1)C)O)CO)(C)C)C

Metabolite of Species	Details
Ascotricha sinuosa (NCBI:txid1217297)	See: PubMed

ChEBI Ontology
Outgoing	Punctaporonin M (CHEBI:213828) is a tertiary alcohol (CHEBI:26878)

IUPAC Name

[(2aS,3S,4aS,5S,7aS,7bR)-2a,5-dihydroxy-7a-(hydroxymethyl)-2,2,4a-trimethyl-3,4,5,7b-tetrahydro-1H-cyclobuta[e]inden-3-yl] acetate