input word = C00025500

Metabolite InformationStructural formula
Name Holantosine A
Formula C28H47NO6
Mw 493.34033824
CAS RN 28719-38-2
C_ID C00025500 ,
InChIKey XPLAXRSHXHPUNS-LBSAHAETNA-N
InChICode InChI=1S/C28H47NO6/c1-16-24(29)21(32-4)14-23(34-16)35-18-7-10-25(2)17(13-18)5-6-20-19(25)8-11-27-15-33-26(3,30)22(27)9-12-28(20,27)31/h16-24,30-31H,5-15,29H2,1-4H3/t16-,17-,18-,19+,20-,21+,22+,23+,24+,25+,26+,27-,28-/m0/s1
SMILES C1[C@@H](C[C@H]2[C@@](C1)([C@H]1[C@H](CC2)[C@@]2([C@]3(CC1)[C@H](CC2)[C@](OC3)(C)O)O)C)O[C@@H]1C[C@H]([C@@H]([C@@H](O1)C)N)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHolarrhena antidysenterica Ref.
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OrganismHolarrhena antidysenterica
ReferenceJanot,Tetrahedron,26,(1970),1695