input word = C00032661

Metabolite InformationStructural formula
Name 5-alpha-4,5-Dihydro-scillaren A
Formula C36H43O13
Mw 683.27036646
CAS RN 131221-53-9
C_ID C00032661 ,
InChIKey LYASADJFNZVCCK-RLWQSACUNA-N
InChICode InChI=1S/C36H54O13/c1-17-31(49-33-29(42)27(40)26(39)24(15-37)48-33)28(41)30(43)32(46-17)47-20-8-11-34(2)19(14-20)5-6-23-22(34)9-12-35(3)21(10-13-36(23,35)44)18-4-7-25(38)45-16-18/h4,7,16-17,19-24,26-33,37,39-44H,5-6,8-15H2,1-3H3/t17-,19-,20-,21+,22-,23+,24+,26+,27-,28-,29+,30+,31-,32-,33-,34-,35+,36-/m0/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)c1ccc(=O)oc1)C)O)C)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeUrginea maritima Ref.
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