input word = C00044600

Metabolite InformationStructural formula
Name Bulbineloneside C
Formula C28H24O12
Mw 552.12677623
CAS RN 586378-39-4
C_ID C00044600 ,
InChIKey AZYAWCYACHXAHP-UHFFFAOYNA-N
InChICode InChI=1S/C28H24O12/c1-9-6-13(31)21-22(23(34)11-4-3-5-12(30)19(11)26(21)37)17(9)20-14(32)7-16(18(10(2)29)25(20)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-/m0/s1
SMILES c1cc(c2c(c1)C(=O)c1c(C2=O)c(cc(c1c1c(cc(c(c1O)C(=O)C)O[C@H]1[C@@H](O)[C@H]([C@H](CO1)O)O)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeBulbinella floribunda Ref.
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OrganismBulbinella floribunda
ReferenceKuroda,J.Nat.Prod.,66,(2003),894