input word = C00032662

Metabolite InformationStructural formula
Name 5-alpha-4,5-Dihydro-scillirosidin 3-O-alpha-L-quinovopyranoside
Formula C32H46O11
Mw 606.30401231
CAS RN 177855-63-9
C_ID C00032662 ,
InChIKey PKVXBEIZHOIXQK-XTJIOQMRNA-N
InChICode InChI=1S/C32H46O11/c1-16-25(35)26(36)27(37)28(41-16)43-19-7-10-29(3)21(13-19)22(42-17(2)33)14-31(38)23(29)9-11-30(4)20(8-12-32(30,31)39)18-5-6-24(34)40-15-18/h5-6,15-16,19-23,25-28,35-39H,7-14H2,1-4H3/t16-,19-,20+,21+,22+,23+,25-,26+,27+,28-,29-,30+,31-,32+/m0/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@](C[C@H]2OC(=O)C)([C@@]2([C@](CC1)([C@H](CC2)c1ccc(=O)oc1)C)O)O)C)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeUrginea maritima Ref.
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