input word = C00030002

Metabolite InformationStructural formula
Name Colocynthoside B
(-)-Colocynthoside B
Formula C42H62O15
Mw 806.40887131
CAS RN 903588-41-0
C_ID C00030002 ,
InChIKey BEQDSDZQSKPXIG-UQRISQIBNA-N
InChICode InChI=1S/C42H62O15/c1-18(16-43)11-20-13-41(7,52)34-24(54-20)14-39(5)26-10-9-21-22(42(26,8)27(45)15-40(34,39)6)12-23(35(51)38(21,3)4)55-37-33(31(49)29(47)25(17-44)56-37)57-36-32(50)30(48)28(46)19(2)53-36/h9,11-12,19-20,22,24-26,28-34,36-37,43-44,46-50,52H,10,13-17H2,1-8H3/b18-11+/t19-,20+,22+,24+,25+,26-,28-,29+,30+,31-,32+,33+,34-,36-,37+,39-,40+,41-,42-/m0/s1
SMILES C/C(=C[C@@H]1C[C@](C)(O)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(=O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiGanodermataceaeGanoderma colossum (FR.) C.F.BAKER Ref.
PlantaeCucurbitaceaeCitrullus colocynthis (L.) Ref.
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OrganismGanoderma colossum (FR.) C.F.BAKER
ReferenceDine,Chem.Pharm.Bull.,56,(2008),642