input word = C00041247

Metabolite InformationStructural formula
Name 15-epi-Cyllenin A
Formula C20H30O5
Mw 350.20932407
CAS RN 72029-65-3
C_ID C00041247 ,
InChIKey IACFKHAQKGTVTR-JUXRVXIONA-N
InChICode InChI=1S/C20H30O5/c1-12-9-13-15-17(2,16(22)24-13)5-4-6-18(15,3)20(12)8-7-19(25-20)10-14(21)23-11-19/h12-15,21H,4-11H2,1-3H3/t12-,13-,14+,15+,17+,18+,19-,20-/m1/s1
SMILES C1(=O)[C@@]2([C@@H]3[C@H](O1)C[C@H]([C@@]1([C@]3(CCC2)C)CC[C@]2(O1)CO[C@@H](C2)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMarrubium globosum ssp.libanoticum Ref.
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