input word = C00025037

Metabolite InformationStructural formula
Name Yesoline
Formula C30H37NO6
Mw 507.26208792
CAS RN 116159-74-1
C_ID C00025037 ,
InChIKey LPMFHFNQVYSASY-UHFFFAOYNA-N
InChICode InChI=1S/C30H37NO6/c1-15-17-12-18-25-29-10-6-9-28(2,14-31(25)3)23(29)19(32)13-30(18,24(29)22(17)33)26(15)37-27(34)16-7-8-20(35-4)21(11-16)36-5/h7-8,11,17-18,22-26,33H,1,6,9-10,12-14H2,2-5H3/t17-,18-,22+,23-,24+,25-,26-,28+,29+,30-/m1/s1
SMILES [C@H]12C[C@@H]3[C@@H]4[C@]56[C@H](C(=O)C[C@@]3([C@H]6[C@H]1O)[C@@H](C2=C)OC(=O)c1cc(c(cc1)OC)OC)[C@@](CCC5)(CN4C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum yesoense var.macroyesoense Ref.
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