input word = C00002000

Metabolite InformationStructural formula
Name Integerrenine
(-)-Integerrenine
Formula C31H42N4O4
Mw 534.32060586
CAS RN 18067-39-5
C_ID C00002000 ,
InChIKey KGRSGRNSVOPQEA-OTNOBLMYNA-N
InChICode InChI=1S/C31H42N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(23-11-9-8-10-12-23)39-24-15-13-22(14-16-24)17-18-32-29(36)25(19-20(2)3)33-30(26)37/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b18-17-/t21-,25+,26+,27+,28-/m1/s1
SMILES c1c2ccc(c1)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N/C=C\2)CC(C)C)NC(=O)[C@@H](N(C)C)[C@@H](CC)C)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeErythropalaceaeHeisteria nitida Ref.
PlantaeRhamnaceaeCeanothus integerrimus Ref.
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OrganismCeanothus integerrimus
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter24