input word = C00037030

Metabolite InformationStructural formula
Name Denicunine
Formula C35H58O10
Mw 638.40299807
CAS RN 254980-35-3
C_ID C00037030 ,
InChIKey IPWUXBATRUGPLD-JDETWPQTNA-N
InChICode InChI=1S/C35H58O10/c1-18(36)23-12-15-35(39)25-9-8-21-16-22(10-13-33(21,4)24(25)11-14-34(23,35)5)44-27-17-26(40-6)30(20(3)42-27)45-32-29(38)31(41-7)28(37)19(2)43-32/h8,18-20,22-32,36-39H,9-17H2,1-7H3/t18-,19+,20+,22-,23+,24?,25+,26+,27-,28-,29+,30+,31-,32-,33-,34+,35-/m0/s1
SMILES CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H]([C@H](C)O)CC[C@]54O)C3)C[C@H]2OC)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHemidesmus indicus R.Br. Ref.
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OrganismHemidesmus indicus R.Br.
ReferenceSigler,Phytochem.,54,(2000),983