input word = C00044601

Metabolite InformationStructural formula
Name Bulbineloneside D
Formula C29H26O13
Mw 582.13734092
CAS RN 586379-28-4
C_ID C00044601 ,
InChIKey AOJYFODHRHWWEN-UHFFFAOYNA-N
InChICode InChI=1S/C29H26O13/c1-9-6-13(33)21-22(23(35)11-4-3-5-12(32)19(11)26(21)38)17(9)20-14(34)7-15(18(10(2)31)25(20)37)41-29-28(40)27(39)24(36)16(8-30)42-29/h3-7,16,24,27-30,32-34,36-37,39-40H,8H2,1-2H3/t16-,24-,27+,28+,29-/m1/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]([C@H](O1)CO)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