input word = C00026060

Metabolite InformationStructural formula
Name Tetrastachyne
Formula C42H50N4O6
Mw 706.37303536
CAS RN 79887-93-7
C_ID C00026060 ,
InChIKey YWVRWCWJXYLYNH-UHFFFAOYNA-N
InChICode InChI=1S/C42H50N4O6/c1-5-24-19-23-20-42(39(49)51-4)34-26(13-17-46(22-23)36(24)42)25-11-12-29(47)33(31(25)43-34)52-30-10-7-9-28-32(30)44-35-27(37(48)50-3)21-40(6-2)14-8-16-45-18-15-41(28,35)38(40)45/h7,9-12,23-24,36,38,43-44,47H,5-6,8,13-22H2,1-4H3/t23-,24+,36+,38-,40-,41-,42-/m0/s1
SMILES CCC1CC2CN3CCc4c([nH]c5c(Oc6cccc7c6NC6=C(C(=O)OC)CC8(CC)CCCN9CCC67C98)c(O)ccc45)C(C(=O)OC)(C2)C13
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana siphilitica Leeuwenberg Ref.
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