Mollisinol A (CHEBI:189348)

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	Mollisinol A

ChEBI ID	CHEBI:189348

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H34O4

Net Charge

Average Mass

326.477

Monoisotopic Mass

326.24571

InChI

InChI=1S/C19H34O4/c1-3-4-5-6-7-11-14-17-19(23-17)16(20)13-10-8-9-12-15-18(21)22-2/h7,11,16-17,19-20H,3-6,8-10,12-15H2,1-2H3/b11-7+/t16-,17+,19+/m1/s1

InChIKey

CNQBJCXXCMJDMO-WCLWSHCHSA-N

SMILES

O1[C@H]([C@@H]1C/C=C/CCCCC)[C@H](O)CCCCCCC(OC)=O

Metabolite of Species	Details
Arabidopsis thaliana (NCBI:txid3702)	Found in leaf (BTO:0000713). See: MetaboLights Study

ChEBI Ontology
Outgoing	Mollisinol A (CHEBI:189348) is a aliphatic alcohol (CHEBI:2571)

IUPAC Name

methyl (8R)-8-hydroxy-8-[(2S,3S)-3-[(E)-oct-2-enyl]oxiran-2-yl]octanoate