input word = C00028797

Metabolite InformationStructural formula
Name Panganensine X
Formula C38H46N4O2
Mw 590.36207674
CAS RN 182745-08-0
C_ID C00028797 ,
InChIKey GJYRKYFELCXWRD-WIXLWLJMNA-N
InChICode InChI=1S/C38H46N4O2/c1-3-22-17-41-12-11-38-30-14-23(8-9-32(30)40-35(38)27(19-43)24(22)15-33(38)41)21(2)26-18-42-13-10-37-29-6-4-5-7-31(29)39-36(37)28(20-44)25(26)16-34(37)42/h3-9,14,18,21,24-25,27-28,33-36,39-40,43-44H,10-13,15-17,19-20H2,1-2H3/b22-3-/t21-,24?,25+,27-,28+,33+,34+,35+,36+,37-,38-/m1/s1
SMILES C/C=C1/CN2CC[C@]34c5cc(C(C)C6=CN7CC[C@]89c%10ccccc%10N[C@H]8[C@@H](CO)[C@H]6C[C@H]79)ccc5N[C@H]3[C@H](CO)[C@H]1C[C@H]24
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos panganensis Ref.
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OrganismStrychnos panganensis
ReferenceNuzillard,Phytochem.,43,(1996),897