input word = C00006657

Metabolite InformationStructural formula
Name Sambicyanin
Cyanidin 3-xyloglucoside
Cyanidine 3-sambubioside
Formula C26H29O15
Mw 581.15064526
CAS RN 33012-73-6
C_ID C00006657 ,
InChIKey ZPPQIOUITZSYAO-FGQOMUFQNA-O
InChICode InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18+,19+,20+,21-,22+,24-,25-,26+/m0/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@@H]([C@H](CO1)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAdoxaceaeSambucus canadensis Ref.
PlantaeAdoxaceaeSambucus spp. Ref.
PlantaeApiaceaeAngelica decursiva Ref.
PlantaeBegoniaceaeBegonia rex Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia indica Ref.
PlantaeCrassulaceaeCotyledon spp. Ref.
PlantaeCrassulaceaeCrassula spp. Ref.
PlantaeCrassulaceaeTylecodon spp. Ref.
PlantaeFabaceaeTrifolium incarnatum Ref.
PlantaeGesneriaceaeAeschynanthus obconica Ref.
PlantaeGesneriaceaeAeschynanthus spp. Ref.
PlantaeGesneriaceaeDidymocarpus corchorifolia Ref.
PlantaeLecythidaceaeBarringtonia spp. Ref.
PlantaeMalvaceaeAbelmoschus spp. Ref.
PlantaeMalvaceaeThespesia spp. Ref.
PlantaeRanunculaceaeRanunculus asiaticus Ref.
PlantaeRosaceaeRubus idaeus Ref.
PlantaeRosaceaeRubus occidentalis Ref.
PlantaeRosaceaeRubus spp. Ref.
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