input word = C00044599

Metabolite InformationStructural formula
Name Bulbineloneside B
Formula C28H24O12
Mw 552.12677623
CAS RN 586354-87-2
C_ID C00044599 ,
InChIKey CDSKQDYWXLYLCQ-UHFFFAOYNA-N
InChICode InChI=1S/C28H24O12/c1-9-6-13(31)20-22(23(34)11-4-3-5-12(30)19(11)26(20)37)17(9)21-16(7-14(32)18(10(2)29)25(21)36)40-28-27(38)24(35)15(33)8-39-28/h3-7,15,24,27-28,30-33,35-36,38H,8H2,1-2H3/t15-,24-,27-,28+/m1/s1
SMILES c1cc(c2c(c1)C(=O)c1c(C2=O)c(cc(c1c1c(c(c(cc1O[C@@H]1OC[C@H]([C@H]([C@H]1O)O)O)O)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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