input word = C00044598

Metabolite InformationStructural formula
Name Bulbineloneside A
Formula C30H28O13
Mw 596.15299098
CAS RN 586354-86-1
C_ID C00044598 ,
InChIKey JLUFNXPBLWPPMS-UHFFFAOYNA-N
InChICode InChI=1S/C30H28O13/c1-10-7-14(34)21-23(24(35)12-5-4-6-13(33)20(12)27(21)38)18(10)22-16(8-15(41-3)19(11(2)32)26(22)37)42-30-29(40)28(39)25(36)17(9-31)43-30/h4-8,17,25,28-31,33-34,36-37,39-40H,9H2,1-3H3/t17-,25-,28+,29-,30-/m0/s1
SMILES c1cc(c2c(c1)C(=O)c1c(C2=O)c(cc(c1c1c(c(c(cc1O[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)OC)C(=O)C)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeBulbinella floribunda Ref.
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