input word = C00058280

Metabolite InformationStructural formula
Name TG1
Formula C36H60O8
Mw 620.42881889
CAS RN 947692-20-8
C_ID C00058280
InChIKey VMKCFFURLDMZIG-ILEMZTSISA-N
InChICode InChI=1S/C36H60O8/c1-31(2)13-14-33(5)15-16-34(6)19(20(33)17-31)9-10-23-35(34,7)12-11-22-32(3,4)29(27(41)28(42)36(22,23)8)44-30-26(40)25(39)24(38)21(18-37)43-30/h9,20-30,37-42H,10-18H2,1-8H3/t20-,21+,22-,23-,24+,25-,26+,27+,28-,29-,30-,33+,34+,35+,36-/m0/s1
SMILES CC1(C)CC[C@]2(C)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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