input word = C00038904

Metabolite InformationStructural formula
Name Cyclotricuspidoside B
(+)-Cyclotricuspidoside B
Formula C43H72O17
Mw 860.47695088
CAS RN 239794-22-0
C_ID C00038904 ,
InChIKey JRBZRACFBGYSHE-NXNZIYSDNA-N
InChICode InChI=1S/C43H72O17/c1-19(2)42(56,18-57-35-33(53)31(51)29(49)22(15-44)58-35)10-9-20(3)28-21(46)14-39(5)24-7-8-25-40(6,37(55)60-36-34(54)32(52)30(50)23(16-45)59-36)26(47)13-27(48)43(25)17-41(24,43)12-11-38(28,39)4/h19-36,44-54,56H,7-18H2,1-6H3/t20-,21+,22-,23-,24+,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35-,36+,38-,39+,40+,41+,42-,43-/m1/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@H](C)CC[C@](CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(O)C(C)C)C)C)C3)(C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeTrichosanthes tricuspidata Ref.
PlantaePassifloraceaePassiflora edulis Ref.
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