input word = C00033369

Metabolite InformationStructural formula
Name Scillarenin 3-O-beta-D-glucopyranoside
Formula C30H42O9
Mw 546.28288294
CAS RN 14904-71-3
C_ID C00033369 ,
InChIKey XKDNBXLUFVPGJL-TYAQTCLTNA-N
InChICode InChI=1S/C30H42O9/c1-28-10-7-18(38-27-26(35)25(34)24(33)22(14-31)39-27)13-17(28)4-5-21-20(28)8-11-29(2)19(9-12-30(21,29)36)16-3-6-23(32)37-15-16/h3,6,13,15,18-22,24-27,31,33-36H,4-5,7-12,14H2,1-2H3/t18-,19+,20-,21+,22+,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=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeUrginea maritima Ref.
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