input word = C00001760

Metabolite InformationStructural formula
Name Quadrigemine A
Formula C44H50N8
Mw 690.41584365
CAS RN 69937-02-6
C_ID C00001760 ,
InChIKey XRCKDTICIIHERM-UHFFFAOYNA-N
InChICode InChI=1S/C44H50N8/c1-49-23-19-41(27-11-5-7-17-33(27)45-37(41)49)29-13-9-15-31-35(29)47-39-43(31,21-25-51(39)3)44-22-26-52(4)40(44)48-36-30(14-10-16-32(36)44)42-20-24-50(2)38(42)46-34-18-8-6-12-28(34)42/h5-18,37-40,45-48H,19-26H2,1-4H3/t37-,38+,39-,40-,41+,42+,43+,44+/m1/s1
SMILES c1cc(c2c(c1)[C@@]1([C@H](N2)N(CC1)C)[C@@]12c3c(c(ccc3)[C@]34c5c(cccc5)N[C@H]3N(CC4)C)N[C@@H]1N(CC2)C)[C@]12c3c(cccc3)N[C@@H]1N(CC2)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeHodgkinsonia frutescens Ref.
PlantaeRubiaceaePsychotria forsteriana Ref.
PlantaeRubiaceaePsychotria rostrata Ref.
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