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

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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 (+/-)-dispirocochlearoid A
ChEBI ID CHEBI:217471
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H50O7
Net Charge 0
Average Mass 666.855
Monoisotopic Mass 666.35565
InChI InChI=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
InChIKey MWVQIFBKZCCLPD-HRTAHMFKSA-N
SMILES O=C1O[C@]2(C3=C(O[C@@H]([C@@]24C=C5C6=C(O[C@]([C@@H]5CC4)(CCC=C(C)C)C)C=CC(=C6)O)O)C=CC(=C3)O)C=C1CC/C=C(/CCC=C(C)C)\C
Metabolite of Species Details
Ganoderma (NCBI:txid5314) See: PubMed
ChEBI Ontology
Outgoing (+/-)-dispirocochlearoid A (CHEBI:217471) is a triterpenoid (CHEBI:36615)