input word = C00032663

Metabolite InformationStructural formula
Name 5-alpha-4,5-Dihydro-scillirosidin 3-O-beta-D-glucopyranoside
Formula C32H46O12
Mw 622.29892693
CAS RN 177855-65-1
C_ID C00032663 ,
InChIKey AJWHYKIELSGYKN-LHSGOTLQNA-N
InChICode InChI=1S/C32H46O12/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/h4-5,15,18-23,25-28,33,36-40H,6-14H2,1-3H3/t18-,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)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeUrginea maritima Ref.
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