input word = C00032206

Metabolite InformationStructural formula
Name Stelmatotriterpenoside H
(+)-Stelmatotriterpenoside H
Formula C42H66O17
Mw 842.43000068
CAS RN 619308-68-8
C_ID C00032206 ,
InChIKey CNYSUPSHAFLXED-UGTIWOMKNA-N
InChICode InChI=1S/C42H66O17/c1-18-9-12-42(36(54)59-34-30(51)28(49)26(47)22(17-44)57-34)14-13-38(3)19(31(42)41(18,6)55)7-8-23-37(2)15-20(45)32(52)40(5,24(37)10-11-39(23,38)4)35(53)58-33-29(50)27(48)25(46)21(16-43)56-33/h7,18,20-34,43-52,55H,8-17H2,1-6H3/t18-,20-,21-,22-,23-,24-,25-,26-,27+,28+,29-,30-,31-,32+,33+,34+,37+,38-,39-,40-,41-,42+/m1/s1
SMILES O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C(=O)[C@@]12[C@@H]([C@@]([C@@H](CC1)C)(O)C)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@]3(C[C@H]([C@@H]([C@]1(C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Stelmatocrypton khasianum Ref.
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