input word = C00002269

Metabolite InformationStructural formula
Name Veracevine
Formula C27H43NO8
Mw 509.29886736
CAS RN 5876-23-3
C_ID C00002269 ,
InChIKey MZHXYVMEVBEFAL-IEZVGZIVNA-N
InChICode InChI=1S/C27H43NO8/c1-14-4-7-18-22(3,31)26(34)17(12-28(18)11-14)24(33)13-25-16(23(24,32)10-20(26)30)6-5-15-21(25,2)9-8-19(29)27(15,35)36-25/h14-20,29-35H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26-,27-/m0/s1
SMILES C1[C@@H]([C@@]2([C@@H]3[C@](C1)([C@@]1([C@@H](CC3)[C@]3([C@@](C1)([C@H]1[C@]([C@H](C3)O)([C@]([C@H]3N(C1)C[C@H](CC3)C)(C)O)O)O)O)O2)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
--Schoenocoulon officinale Ref.
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OrganismSchoenocoulon officinale
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter29