input word = C00044602

Metabolite InformationStructural formula
Name Bulbineloneside E
Formula C34H34O17
Mw 714.17959966
CAS RN 586379-75-1
C_ID C00044602 ,
InChIKey XGCASWJNESGTQB-UHFFFAOYNA-N
InChICode InChI=1S/C34H34O17/c1-10-6-14(38)23-24(25(41)12-4-3-5-13(37)21(12)28(23)44)19(10)22-15(39)7-17(20(11(2)36)27(22)43)49-33-31(47)32(16(40)9-48-33)51-34-30(46)29(45)26(42)18(8-35)50-34/h3-7,16,18,26,29-35,37-40,42-43,45-47H,8-9H2,1-2H3/t16-,18-,26-,29+,30-,31+,32-,33+,34+/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[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)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