input word = C00035668

Metabolite InformationStructural formula
Name Isostrictinin
Formula C27H22O18
Mw 634.0806139
CAS RN 87392-62-9
C_ID C00035668 ,
InChIKey MBPYHNAWMKVREM-UHFFFAOYNA-N
InChICode InChI=1S/C27H22O18/c28-5-13-19(36)22-23(27(42-13)45-24(39)6-1-9(29)16(33)10(30)2-6)44-26(41)8-4-12(32)18(35)21(38)15(8)14-7(25(40)43-22)3-11(31)17(34)20(14)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22+,23+,27-/m0/s1
SMILES O1[C@H]([C@@H]([C@@H]2[C@H]([C@@H]1OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1c(c3c(C(=O)O2)cc(c(c3O)O)O)c(c(c(c1)O)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGeraniaceaePelargonium reniforme Ref.
PlantaeMelastomataceaeMonochaetum multiflorum Ref.
PlantaeMyrtaceaePsidium guajava Ref.
PlantaeRosaceaeSanguisorba officinalis Ref.
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OrganismSanguisorba officinalis
ReferenceSeikel,M.K.et al.,Phytochemistry,9,(1970),1115-1128