input word = C00063434

Metabolite InformationStructural formula
Name Floralginsenoside I
Formula C48H82O20
Mw 978.53994506
CAS RN 937171-09-0
C_ID C00063434
InChIKey QHTDGTDZOAIGBD-XUTYXWAUSA-N
InChICode InChI=1S/C48H82O20/c1-21-30(53)33(56)36(59)40(62-21)66-38-35(58)32(55)26(20-50)65-42(38)63-24-18-47(8)27(45(6)15-12-28(52)44(4,5)39(24)45)17-23(51)29-22(11-16-46(29,47)7)48(9,14-10-13-43(2,3)68-61)67-41-37(60)34(57)31(54)25(19-49)64-41/h10,13,21-42,49-61H,11-12,14-20H2,1-9H3/b13-10+/t21-,22-,23+,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,45+,46+,47+,48-/m0/s1
SMILES CC1OC(OC2C(OC3CC4(C)C(CC(O)C5C(C(C)(CC=CC(C)(C)OO)OC6OC(CO)C(O)C(O)C6O)CCC54C)C4(C)CCC(O)C(C)(C)C34)OC(CO)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
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