input word = C00032205

Metabolite InformationStructural formula
Name Stelmatotriterpenoside G
(-)-Stelmatotriterpenoside G
Formula C48H78O20
Mw 974.50864493
CAS RN 619308-67-7
C_ID C00032205 ,
InChIKey NTUNGHVMDKOROX-QCCDSSINNA-N
InChICode InChI=1S/C48H78O20/c1-20-10-13-48(42(61)68-41-36(33(58)30(55)25(19-51)65-41)66-39-34(59)31(56)28(53)23(17-49)63-39)15-14-45(5)21(37(48)47(20,7)62)8-9-27-44(4)16-22(52)38(43(2,3)26(44)11-12-46(27,45)6)67-40-35(60)32(57)29(54)24(18-50)64-40/h8,20,22-41,49-60,62H,9-19H2,1-7H3/t20-,22-,23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38+,39+,40+,41+,44+,45-,46-,47-,48+/m1/s1
SMILES [C@@H]1([C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@@]1(C)O)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CO)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Stelmatocrypton khasianum Ref.
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