input word = C00054693

Metabolite InformationStructural formula
Name Cyclotricuspidogenin B
Formula C31H52O7
Mw 536.37130401
CAS RN 239794-27-5
C_ID C00054693
InChIKey CPHVNLRAJPTYSD-JIDNUNAFSA-N
InChICode InChI=1S/C31H52O7/c1-17(2)30(38,16-32)10-9-18(3)24-19(33)14-27(5)20-7-8-21-28(6,25(36)37)22(34)13-23(35)31(21)15-29(20,31)12-11-26(24,27)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-/m1/s1
SMILES CC(C)C(CO)(O)CC[C@@H](C)[C@@]1([H])[C@@H](O)C[C@@]2(C)[C@]3([H])CC[C@@]4([H])[C@@](C(O)=O)(C)[C@@H](O)C[C@H](O)[C@]4(C5)[C@]35CC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePassifloraceaePassiflora edulis Ref.
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