input word = C00028675

Metabolite InformationStructural formula
Name Neostemodiol
Stemodiol
Formula C18H27NO5
Mw 337.18892298
CAS RN 145701-17-3
C_ID C00028675 ,
InChIKey VTPSFGZNDASQAV-DHBPIFOFNA-N
InChICode InChI=1S/C18H27NO5/c1-10(15(21)17-16(23-3)11(2)18(22)24-17)14-12-6-4-8-19(12)9-5-7-13(14)20/h10,12-14,20-21H,4-9H2,1-3H3/b17-15-/t10-,12+,13+,14+/m0/s1
SMILES COC1=C(C)C(=O)O/C1=C(O)[C@@H](C)[C@@H]1C2CCCN2CCC[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeStemonaceaeStemona japonica Ref.
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