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 OC[C@H]1O[C@@H](O[C@@H]2C(C)(C)[C@@](CC[C@]3(C)[C@]4([H])CC=C5[C@@]3(C)CC[C@]6(C)[C@@]5([H])CC(C)(C)CC6)([H])[C@]4(C)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRubus idaeus Ref.
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