input word = C00003637

Metabolite InformationStructural formula
Name Scilliroside
Formula C32H44O12
Mw 620.28327687
CAS RN 507-60-8
C_ID C00003637 ,
InChIKey LSMIOFMZNVEEBR-JPBJUDEXNA-N
InChICode InChI=1S/C32H44O12/c1-16(34)42-21-13-31(39)23(8-10-30(3)19(7-11-32(30,31)40)17-4-5-24(35)41-15-17)29(2)9-6-18(12-20(21)29)43-28-27(38)26(37)25(36)22(14-33)44-28/h4-5,12,15,18-19,21-23,25-28,33,36-40H,6-11,13-14H2,1-3H3/t18-,19+,21+,22+,23+,25+,26-,27+,28-,29-,30+,31-,32+/m0/s1
SMILES C1[C@@H](C=C2[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]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeUrginea maritima Ref.
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