input word = C00044348

Metabolite InformationStructural formula
Name Tetradehydrolongicaudatine Y
Formula C38H39N4O
Mw 567.3123869
CAS RN 213119-28-9
C_ID C00044348 ,
InChIKey INVOSXVUPRCXKV-XMMTUUSSNA-O
InChICode InChI=1S/C38H38N4O/c1-3-22-19-40-15-13-25-24-9-5-7-11-30(24)39-35(25)32(40)17-26(22)28-21-42-31-12-8-6-10-29(31)38-14-16-41-20-23(4-2)27(18-33(38)41)34(36(28)43)37(38)42/h3-13,15,21,26-27,33-34,36-37,43H,14,16-20H2,1-2H3/p+1/b22-3-,23-4-/t26-,27-,33-,34-,36+,37-,38+/m0/s1
SMILES [n+]12ccc3c(c1C[C@@H](/C(=C\C)/C2)C1=CN2[C@H]4[C@H]([C@@H]1O)[C@H]1C[C@H]5[C@@]4(CCN5C/C/1=C/C)c1c2cccc1)[nH]c1c3cccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos usambarensis Ref.
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