input word = C00006704

Metabolite InformationStructural formula
Name Delphinidin 3-sambubioside
Formula C26H29O16
Mw 597.14555988
CAS RN 53158-73-9
C_ID C00006704 ,
InChIKey TWYYVOVDSNRIJM-COOYZXCUNA-O
InChICode InChI=1S/C26H28O16/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33)/p+1/t14-,17+,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)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeCotyledon spp. Ref.
PlantaeCrassulaceaeCrassula spp. Ref.
PlantaeCrassulaceaeTylecodon spp. Ref.
PlantaeDaphniphyllaceaeDaphniphyllum macropodum Ref.
PlantaeFabaceaeAbrus precatorius Ref.
PlantaeFabaceaePisum sativum Ref.
PlantaeLecythidaceaeBarringtonia macrostapha Ref.
PlantaeLecythidaceaeBarringtonia racemosa Ref.
PlantaeMalvaceaeHibiscus sabdariffa Ref.
PlantaeRanunculaceaeRanunculus asiaticus Ref.
PlantaeSymplocaceaeSymplocos lucida Ref.
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