input word = C00041213

Metabolite InformationStructural formula
Name Triptocallic acid B
Formula C30H48O3
Mw 456.3603454
CAS RN 190906-63-9
C_ID C00041213 ,
InChIKey GQYYMZGTKQDPNR-ZLUOVMDTNA-N
InChICode InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h8,19,21-23,31H,9-18H2,1-7H3,(H,32,33)/t19-,21-,22+,23-,26+,27+,28+,29+,30-/m0/s1
SMILES CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii var.regelii Ref.
zoom in