input word = C00001732

Metabolite InformationStructural formula
Name Geissospermine
Formula C40H48N4O3
Mw 632.37264143
CAS RN 427-01-0
C_ID C00001732 ,
InChIKey ISDWYSGTYITCHG-DSJXFKQWNA-N
InChICode InChI=1S/C40H48N4O3/c1-4-23-21-43-17-15-40-30-11-7-9-13-32(30)44-37(40)29(27(23)19-34(40)43)22-47-38(44)35(39(45)46-3)28-18-33-36-26(14-16-42(33)20-24(28)5-2)25-10-6-8-12-31(25)41-36/h5-13,23,27-29,33-35,37-38,41H,4,14-22H2,1-3H3/b24-5-/t23-,27+,28+,29+,33+,34+,35-,37+,38+,40-/m1/s1
SMILES [C@H]12[C@]34c5c(N1[C@@H](OC[C@H]2[C@H]1C[C@@H]3N(CC4)C[C@H]1CC)[C@H](C(=O)OC)[C@@H]1/C(=C\C)/CN2[C@@H](C1)c1c(CC2)c2c([nH]1)cccc2)cccc5
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeGeissospermum sericeum Ref.
PlantaeApocynaceaeGeissospermum vellosii Ref.
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