input word = C00032669

Metabolite InformationStructural formula
Name 6-Desacetylscilliroside
(-)-6-Desacetylscilliroside
Formula C30H42O11
Mw 578.27271219
CAS RN 80496-58-8
C_ID C00032669 ,
InChIKey XLCCXBCMWUOBIG-SIHFBMQNNA-N
InChICode InChI=1S/C30H42O11/c1-27-8-5-16(40-26-25(36)24(35)23(34)20(13-31)41-26)11-18(27)19(32)12-29(37)21(27)7-9-28(2)17(6-10-30(28,29)38)15-3-4-22(33)39-14-15/h3-4,11,14,16-17,19-21,23-26,31-32,34-38H,5-10,12-13H2,1-2H3/t16-,17+,19+,20+,21+,23+,24-,25+,26+,27-,28+,29-,30+/m0/s1
SMILES C[C@]12CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C1[C@H](O)C[C@]1(O)[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@@]21O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeUrginea maritima Ref.
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OrganismUrginea maritima
ReferenceIizuka,Chem.Pharm.Bull.,49,(2001),282