input word = C00043761

Metabolite InformationStructural formula
Name Neocynapanogenin C
Formula C21H28O7
Mw 392.18350325
CAS RN 655231-93-9
C_ID C00043761 ,
InChIKey GEYHHNDDIXYCLV-DUYVEVAWNA-N
InChICode InChI=1S/C21H28O7/c1-20-6-5-11(22)7-10(20)8-14(23)16-13(20)4-3-12-17-15(27-19(16)25)9-26-21(17,2)28-18(12)24/h3,8,11,13-18,22-24H,4-7,9H2,1-2H3/b12-3-/t11-,13-,14+,15+,16+,17+,18+,20-,21+/m0/s1
SMILES C[C@@]12OC[C@H]3OC(=O)[C@H]4[C@@H](O)C=C5C[C@@H](O)CC[C@]5(C)[C@H]4C/C=C([C@H](O)O1)[C@H]32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum paniculatum Ref.
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