input word = C00028334

Metabolite InformationStructural formula
Name Haplophytine
Formula C37H40N4O7
Mw 652.28969966
CAS RN 16625-20-0
C_ID C00028334 ,
InChIKey SFSFAWRKKRGBKI-YTXHGLDANA-N
InChICode InChI=1S/C37H40N4O7/c1-38-17-14-34(21-7-5-8-24(42)28(21)41-26(43)10-13-36(38,41)32(34)45)23-19-22-29(31(47-4)30(23)46-3)39(2)25-9-12-33-11-6-16-40-18-15-35(22,25)37(33,40)48-27(44)20-33/h5,7-9,12,19,25,42H,6,10-11,13-18,20H2,1-4H3/t25-,33-,34-,35-,36+,37+/m1/s1
SMILES c1(c(c(c2c(c1)[C@]13[C@H](N2C)C=C[C@]24[C@]1(N(CCC2)CC3)OC(=O)C4)OC)OC)[C@]12c3c(N4[C@@](N(CC1)C)(CCC4=O)C2=O)c(ccc3)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHaplophyton cimicidum A.DC. Ref.
PlantaeApocynaceaeHaplophyton crooksii Ref.
PlantaeRutaceaeHaplophyllum cimicidum Ref.
PlantaeRutaceaeHaplophyllum dubium Eug.Kor. Ref.
PlantaeRutaceaeHaplophyllum pedicellatum Ref.
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