input word = C00002769

Metabolite InformationStructural formula
Name Purpureaside C
Formula C35H46O20
Mw 786.25824391
CAS RN 108648-07-3
C_ID C00002769 ,
InChIKey FSBUXLDOLNLABB-ILIGCBMZNA-N
InChICode InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22-,24+,25+,26+,27-,28+,29-,30-,31-,32-,33-,34-,35+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)OCCc1ccc(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)OC(=O)/C=C/c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePhlomis brunneogaleata Ref.
PlantaeOrobanchaceaeCistanche deserticola Ref.
PlantaeOrobanchaceaeCistanche salsa Ref.
PlantaePlantaginaceaeDigitalis purpurea Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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OrganismDigitalis purpurea
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter42