input word = C00042765

Metabolite InformationStructural formula
Name Nepeticin
Formula C30H50O2
Mw 442.38108084
CAS RN 79383-36-1
C_ID C00042765 ,
InChIKey CTSXUIWIOTUWDC-CBTWGHGYNA-N
InChICode InChI=1S/C30H50O2/c1-18(2)19-9-12-27(5)15-16-29(7)20(24(19)27)17-21(31)25-28(6)13-11-23(32)26(3,4)22(28)10-14-30(25,29)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21+,22-,23-,24-,25+,27+,28-,29+,30+/m0/s1
SMILES C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus cuzcoina Ref.
PlantaeLabiataeNepeta hindostana Ref.
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