input word = C00005172

Metabolite InformationStructural formula
Name Multifloein B
Multiflorin B
Formula C27H30O15
Mw 594.15847029
CAS RN 52657-01-9
C_ID C00005172 ,
InChIKey ZCSDEGFPWXFQLB-JBOSVMHGNA-N
InChICode InChI=1S/C27H30O15/c1-9-23(41-27-21(36)19(34)17(32)15(8-28)40-27)20(35)22(37)26(38-9)42-25-18(33)16-13(31)6-12(30)7-14(16)39-24(25)10-2-4-11(29)5-3-10/h2-7,9,15,17,19-23,26-32,34-37H,8H2,1H3/t9-,15+,17+,19-,20-,21+,22-,23-,26-,27-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiXylariaceaeHypoxylon multiforme Ref.
PlantaeCrassulaceaeSinocrassula indica Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeMalvaceaeBombax malabaricum Ref.
PlantaeRosaceaePrunus humilis Ref.
PlantaeRosaceaePrunus japonica Ref.
PlantaeRosaceaePrunus persica Ref.
PlantaeRosaceaeRosa fujisanensis Ref.
PlantaeRosaceaeRosa luciae Ref.
PlantaeRosaceaeRosa multiflora Ref.
PlantaeRosaceaeRosa multiflra var. adenochaeta Ref.
PlantaeRosaceaeRosa mutiflora Ref.
PlantaeRosaceaeRosa onoei var. hakonensis Ref.
PlantaeRosaceaeRosa onoei var. oligantha Ref.
PlantaeRosaceaeRosa onoei var. onoei Ref.
PlantaeRosaceaeRosa paniculigera Ref.
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