input word = C00037610

Metabolite InformationStructural formula
Name Penicilloside B
(-)-Penicilloside B
Formula C47H72O20
Mw 956.46169474
CAS RN 366491-52-3
C_ID C00037610 ,
InChIKey GEVIFNSAVMRQND-XSTAXREDNA-N
InChICode InChI=1S/C47H72O20/c1-21(62-40(57)23-9-7-6-8-10-23)26-18-30(49)47(59)45(26,4)15-13-29-44(3)14-12-25(17-24(44)11-16-46(29,47)58)64-43-37(56)39(60-5)38(22(2)63-43)67-42-36(55)34(53)32(51)28(66-42)20-61-41-35(54)33(52)31(50)27(19-48)65-41/h6-10,21-22,24-39,41-43,48-56,58-59H,11-20H2,1-5H3/t21-,22+,24-,25-,26+,27+,28+,29+,30+,31-,32-,33-,34-,35+,36+,37+,38-,39+,41+,42-,43-,44-,45+,46-,47+/m0/s1
SMILES CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(O)[C@@H]3CC[C@]3(C)[C@@H]([C@H](C)OC(=O)c5ccccc5)C[C@@H](O)[C@@]34O)C2)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCaralluma penicillata Ref.
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