input word = C00058281

Metabolite InformationStructural formula
Name TG3
Formula C36H58O10
Mw 650.40299807
CAS RN 947692-21-9
C_ID C00058281
InChIKey KLNHQUMHHURCGP-YXTVMGQGSA-N
InChICode InChI=1S/C36H58O10/c1-31(2)12-14-36(30(43)44)15-13-33(5)18(19(36)16-31)8-9-22-34(33,6)11-10-21-32(3,4)28(26(41)27(42)35(21,22)7)46-29-25(40)24(39)23(38)20(17-37)45-29/h8,19-29,37-42H,9-17H2,1-7H3,(H,43,44)/t19-,20+,21-,22-,23+,24-,25+,26+,27-,28-,29-,33+,34+,35-,36-/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@@H](O)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRubus idaeus Ref.
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