input word = C00054667

Metabolite InformationStructural formula
Name 2'-p-Coumaroyldihydropenstemide
Formula C30H40O12
Mw 592.25197674
CAS RN 223428-34-0
C_ID C00054667
InChIKey SSHSXBTZJKLHPW-QWOPETRYSA-N
InChICode InChI=1S/C30H40O12/c1-16(2)11-24(35)42-29-25-18(12-31)6-9-21(25)19(14-38-29)15-39-30-28(27(37)26(36)22(13-32)40-30)41-23(34)10-5-17-3-7-20(33)8-4-17/h3-5,7-8,10,14,16,18,21-22,25-33,36-37H,6,9,11-13,15H2,1-2H3/b10-5+/t18-,21-,22-,25-,26-,27+,28-,29+,30-/m1/s1
SMILES CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H]2CC[C@H](CO)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAdoxaceaeViburnum prunifolium Ref.
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