input word = C00025503

Metabolite InformationStructural formula
Name Holantosine D
Formula C28H45NO5
Mw 475.32977355
CAS RN 33662-04-3
C_ID C00025503 ,
InChIKey WBFUKUDNJLPCFA-CEAVORKCNA-N
InChICode InChI=1S/C28H45NO5/c1-16-24(29)21(30-4)14-23(32-16)33-18-7-10-25(2)17(13-18)5-6-20-19(25)8-11-27-15-31-26(3)22(27)9-12-28(20,27)34-26/h16-24H,5-15,29H2,1-4H3/t16-,17-,18-,19+,20+,21+,22+,23+,24-,25+,26-,27-,28-/m0/s1
SMILES [C@@H]1([C@@H]([C@@H](C[C@@H](O[C@H]2CC[C@@]3([C@H](C2)CC[C@@H]2[C@H]3CC[C@@]34[C@@H]5CC[C@]24O[C@@]5(OC3)C)C)O1)OC)N)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHolarrhena antidysenterica Ref.
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OrganismHolarrhena antidysenterica
ReferenceKhuong-Huu,Bull.Soc.Chim.Fr.,(1971),864