input word = C00046689

Metabolite InformationStructural formula
Name Cyclopassifloic acid A
(+)-Cyclopassifloic acid A
Formula C31H52O7
Mw 536.37130401
CAS RN 292167-34-1
C_ID C00046689 ,
InChIKey DHBRFQPOOWANLV-QSXOWLGYNA-N
InChICode InChI=1S/C31H52O7/c1-17(2)30(38,16-32)14-20(33)18(3)19-9-10-27(5)21-7-8-22-28(6,25(36)37)23(34)13-24(35)31(22)15-29(21,31)12-11-26(19,27)4/h17-24,32-35,38H,7-16H2,1-6H3,(H,36,37)/t18-,19+,20+,21-,22-,23-,24-,26+,27-,28-,29-,30+,31+/m0/s1
SMILES C1[C@@H]([C@@]([C@H]2[C@]3([C@H]1O)[C@]1([C@@H](CC2)[C@]2([C@](CC1)([C@H](CC2)[C@@H]([C@@H](C[C@@](CO)(C(C)C)O)O)C)C)C)C3)(C)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePassifloraceaePassiflora edulis Ref.
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OrganismPassiflora edulis
ReferenceYoshikawa,J.Nat.Prod.,63,(2000),1229