input word = C00032204

Metabolite InformationStructural formula
Name Stelmatotriterpenoside F
(-)-Stelmatotriterpenoside F
Formula C48H78O20
Mw 974.50864493
CAS RN 619308-66-6
C_ID C00032204 ,
InChIKey OHIYCAUHGBJQAI-MHFOPDFFNA-N
InChICode InChI=1S/C48H78O20/c1-20-9-12-48(43(62)68-42-38(61)35(58)32(55)26(66-42)18-63-40-36(59)33(56)30(53)24(16-49)64-40)14-13-46(5)22(29(48)21(20)2)7-8-28-44(3)15-23(52)39(45(4,19-51)27(44)10-11-47(28,46)6)67-41-37(60)34(57)31(54)25(17-50)65-41/h7,20-21,23-42,49-61H,8-19H2,1-6H3/t20-,21+,23-,24-,25-,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41+,42+,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@@H]1C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)(CO)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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