input word = C00037260

Metabolite InformationStructural formula
Name Heminine
Formula C34H56O9
Mw 608.39243339
CAS RN 254980-37-5
C_ID C00037260 ,
InChIKey FCZFGBTYSWHVDC-QVGVGQLINA-N
InChICode InChI=1S/C34H56O9/c1-18(35)23-11-14-34(38)25-8-7-21-15-22(9-12-32(21,4)24(25)10-13-33(23,34)5)42-28-16-26(36)31(20(3)41-28)43-29-17-27(39-6)30(37)19(2)40-29/h7,18-20,22-31,35-38H,8-17H2,1-6H3/t18-,19+,20+,22-,23+,24-,25+,26-,27-,28-,29-,30+,31+,32-,33+,34-/m0/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@@]3(CC[C@@H]1[C@@H](O)C)O)C)O[C@@H]1O[C@@H]([C@H]([C@H](C1)O)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O)OC)C
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