input word = C00005886

Metabolite InformationStructural formula
Name Multiflorin A
Formula C29H32O16
Mw 636.16903498
CAS RN 61358-52-9
C_ID C00005886 ,
InChIKey KXOPSQZLBRPJGX-AHGKAFSKNA-N
InChICode InChI=1S/C29H32O16/c1-10-25(44-29-23(38)21(36)19(34)17(43-29)9-40-11(2)30)22(37)24(39)28(41-10)45-27-20(35)18-15(33)7-14(32)8-16(18)42-26(27)12-3-5-13(31)6-4-12/h3-8,10,17,19,21-25,28-29,31-34,36-39H,9H2,1-2H3/t10-,17+,19+,21-,22+,23+,24-,25-,28+,29-/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)COC(=O)C)O)O)O)C)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolypodiaceaeArthromeris mairei Ref.
PlantaeRosaceaePrunus japonica Ref.
PlantaeRosaceaePrunus persica Ref.
PlantaeRosaceaeRosa multiflora Ref.
PlantaeRosaceaeRosa mutiflora Ref.
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