input word = C00041742

Metabolite InformationStructural formula
Name Pervilleine A N-oxide
Formula C30H37NO12
Mw 603.23157566
CAS RN 392232-04-1
C_ID C00041742 ,
InChIKey VOHDAZHXVROXQC-ORDYZARTNA-N
InChICode InChI=1S/C30H38NO12/c1-31(35)19-14-18(42-30(34)17-12-23(38-4)29(41-7)24(13-17)39-5)15-20(31)27(26(19)33)43-25(32)9-8-16-10-21(36-2)28(40-6)22(11-16)37-3/h8-13,18-20,26-27,33,35H,14-15H2,1-7H3/b9-8-/t18-,19-,20+,26-,27+/m0/s1
SMILES [C@@H]1([C@H]([C@@H]2C[C@@H](C[C@H]1[N]2(O)C)OC(=O)c1cc(c(c(c1)OC)OC)OC)O)OC(=O)/C=C\c1cc(c(c(c1)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeErythroxylaceaeErythroxylum pervillei Ref.
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