input word = C00036107

Metabolite InformationStructural formula
Name Coussaric acid
Formula C30H46O5
Mw 486.33452458
CAS RN 627469-55-0
C_ID C00036107 ,
InChIKey GNUFXZJKHUYVFB-RBHMRRHQNA-N
InChICode InChI=1S/C30H46O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,20-23,31-32,35H,1,8-17H2,2-6H3,(H,33,34)/t20-,21-,22-,23-,25+,26-,27-,28-,29-,30+/m1/s1
SMILES C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros kaki Ref.
PlantaeRubiaceaeCoussarea brevicaulis Ref.
zoom in