input word = C00029938

Metabolite InformationStructural formula
Name Cheiranthic acid
Formula C30H46O5
Mw 486.33452458
CAS RN 942935-89-9
C_ID C00029938 ,
InChIKey SIRSUWPEJDNSOZ-CYAPBEKXNA-N
InChICode InChI=1S/C30H46O5/c1-17-9-12-30(25(34)35)14-13-27(4)19(24(30)18(17)2)7-8-21-28(27,5)11-10-20-26(3,16-31)22(32)15-23(33)29(20,21)6/h7,17-18,20-22,24,31-32H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21+,22+,24+,26+,27-,28-,29+,30+/m1/s1
SMILES C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C(=O)C[C@H](O)[C@@](C)(CO)C5CC[C@]43C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOnagraceaeOenothera cheiranthifolia Ref.
zoom in