Donacinoic acid B (CHEBI:215339)

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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	Donacinoic acid B

ChEBI ID	CHEBI:215339

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/c1-8(14(18)19)4-11(16)7-15(3)10-5-12(15)9(2)13(17)6-10/h4,10-13,16-17H,2,5-7H2,1,3H3,(H,18,19)/b8-4+/t10?,11-,12?,13?,15-/m1/s1

InChIKey

TZBDOZMYJQQLLN-SOGXXSOYSA-N

SMILES

O=C(O)/C(=C/[C@@H](O)C[C@]1(C2C(=C)C(O)CC1C2)C)/C

Metabolite of Species	Details
Montagnula donacina (NCBI:txid1543151)	See: PubMed

ChEBI Ontology
Outgoing	Donacinoic acid B (CHEBI:215339) is a monoterpenoid (CHEBI:25409)

IUPAC Name

(E,4S)-4-hydroxy-5-[(6R)-3-hydroxy-6-methyl-2-methylidene-6-bicyclo[3.1.1]heptanyl]-2-methylpent-2-enoic acid