input word = C00056624

Metabolite InformationStructural formula
Name Flacoside C
Formula C25H40O12
Mw 532.25197674
CAS RN 1204224-36-1
C_ID C00056624
InChIKey GFICEFFATYPEHM-BPDJEAOPSA-N
InChICode InChI=1S/C25H40O12/c1-11-8-14(26)9-24(4,5)25(11,33)7-6-12(2)35-23-21(32)19(30)17(28)15(37-23)10-34-22-20(31)18(29)16(27)13(3)36-22/h6-8,12-13,15-23,27-33H,9-10H2,1-5H3/b7-6+/t12-,13+,15-,16+,17-,18-,19+,20-,21-,22-,23-,25-/m1/s1
SMILES CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[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
PlantaeFlacourtiaceaeFlacourtia ramontchi Ref.
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