input word = C00046693

Metabolite InformationStructural formula
Name Cyclopassifloic acid E
(+)-Cyclopassifloic acid E
Formula C31H52O8
Mw 552.36621864
CAS RN 301540-74-9
C_ID C00046693 ,
InChIKey DXAVXXNAJINCIJ-GBAUSJGRNA-N
InChICode InChI=1S/C31H52O8/c1-17(2)30(39,16-32)12-10-27(5,38)23-18(33)14-26(4)19-7-8-20-28(6,24(36)37)21(34)13-22(35)31(20)15-29(19,31)11-9-25(23,26)3/h17-23,32-35,38-39H,7-16H2,1-6H3,(H,36,37)/t18-,19-,20-,21-,22-,23-,25+,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]([C@H](C2)O)[C@](C)(CC[C@@](CO)(C(C)C)O)O)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),1377