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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OrganismPrunus japonica
ReferenceYu, et al., China Journal of Chinese Materia Medica(Zhongguo Zhongyao Zazhi), 18, (1993), 548.

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Ou, et al., Brief Handbook of Components of Traditional Chinese Medicines, The People's Medical Publishing House, Beijing, (2003)