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CHEBI:217471 - (+/-)-dispirocochlearoid A

Default Structure
ChEBI IDCHEBI:217471
ChEBI Name(+/-)-dispirocochlearoid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H50O7
Net Charge0
Average Mass666.855
Monoisotopic Mass666.35565
SMILESCC(C)=CCC/C(C)=C/CCC1=C[C@]2(OC1=O)c1cc(O)ccc1O[C@H](O)[C@@]21C=C2c3cc(O)ccc3O[C@@](C)(CCC=C(C)C)[C@@H]2CC1
InChIInChI=1S/C42H50O7/c1-26(2)10-7-12-28(5)13-8-14-29-24-42(49-38(29)45)35-23-31(44)16-18-37(35)47-39(46)41(42)21-19-34-33(25-41)32-22-30(43)15-17-36(32)48-40(34,6)20-9-11-27(3)4/h10-11,13,15-18,22-25,34,39,43-44,46H,7-9,12,14,19-21H2,1-6H3/b28-13+/t34-,39+,40+,41-,42+/m1/s1
InChIKeyMWVQIFBKZCCLPD-HRTAHMFKSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (32167308)
ChEBI Ontology
Outgoing Relation(s)
(+/-)-dispirocochlearoid A (CHEBI:217471) is a triterpenoid (CHEBI:36615)