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CHEBI:223302 - Calbistrin D

ChEBI IDCHEBI:223302
ChEBI NameCalbistrin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H42O8
Net Charge0
Average Mass542.669
Monoisotopic Mass542.28797
SMILESCC(=C/C=C/C(=O)O)/C=C/C=C(\C)[C@H](O)[C@H](C)C(=O)O[C@H]1C[C@H](C)C=C2C=C[C@@](C)(O)[C@](C)(C(=O)CCO)[C@H]21
InChIInChI=1S/C31H42O8/c1-19(10-8-12-26(34)35)9-7-11-21(3)28(36)22(4)29(37)39-24-18-20(2)17-23-13-15-30(5,38)31(6,27(23)24)25(33)14-16-32/h7-13,15,17,20,22,24,27-28,32,36,38H,14,16,18H2,1-6H3,(H,34,35)/b9-7+,12-8+,19-10-,21-11+/t20-,22+,24+,27-,28+,30-,31-/m1/s1
InChIKeyVBTJSQZQYFMROV-QSNCMNRASA-N
Species of MetaboliteComponentSourceComments
Penicillium restrictum (ncbitaxon:69784) - PubMed (8436558)
ChEBI Ontology
Outgoing Relation(s)
Calbistrin D (CHEBI:223302) is a monoterpenoid (CHEBI:25409)