input word = C00023348

Metabolite InformationStructural formula
Name Preperegrinin
Formula C20H26O5
Mw 346.17802394
CAS RN 90578-31-7
C_ID C00023348 ,
InChIKey APJLGTWXFWPNFV-XJEOIHSQNA-N
InChICode InChI=1S/C20H26O5/c1-12-10-13-15-17(2,5-4-14(21)18(15,3)16(22)24-13)20(12)7-6-19(25-20)8-9-23-11-19/h8-9,12-13,15H,4-7,10-11H2,1-3H3/t12-,13-,15-,17+,18+,19-,20-/m1/s1
SMILES C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)(C23)[C@@]12CC[C@]1(C=COC1)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMarrubium friwaldskyanum Ref.
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