input word = C00033708

Metabolite InformationStructural formula
Name Cauloside B
(+)-Cauloside B
Formula C35H56O9
Mw 620.39243339
CAS RN 12672-43-4
C_ID C00033708 ,
InChIKey FCPRBNDLDDAHLC-YBTBDFHKNA-N
InChICode InChI=1S/C35H56O9/c1-30(2)13-14-35(29(41)42)20(15-30)19-7-8-23-31(3)11-10-25(44-28-27(40)26(39)21(37)17-43-28)32(4,18-36)22(31)9-12-33(23,5)34(19,6)16-24(35)38/h7,20-28,36-40H,8-18H2,1-6H3,(H,41,42)/t20-,21-,22+,23+,24+,25-,26-,27+,28-,31-,32-,33+,34+,35+/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeCaulophyllum robustum Ref.
PlantaeBerberidaceaeCaulophyllum thalictroides L. Michx. Ref.
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