input word = C00032118

Metabolite InformationStructural formula
Name Punicanolic acid
(-)-Punicanolic acid
Formula C30H50O4
Mw 474.37091008
CAS RN 1122484-84-7
C_ID C00032118 ,
InChIKey WJCIWKNYROGCFD-HVQVBEDBNA-N
InChICode InChI=1S/C30H50O4/c1-18-23-19-8-9-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,6)27(19,5)14-16-30(23,24(32)33)17-15-29(18,7)34/h18-23,31,34H,8-17H2,1-7H3,(H,32,33)/t18-,19+,20+,21+,22-,23-,26-,27+,28+,29+,30+/m0/s1
SMILES C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum LINN. Ref.
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