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 C1[C@@H]2[C@](CC[C@]1(C(=O)O)C)(CC[C@]1([C@]2(CC[C@H]2C1=CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii var.regelii Ref.
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