input word = C00006179

Metabolite InformationStructural formula
Name Lucenin 3
Formula C26H28O15
Mw 580.14282023
CAS RN 12656-83-6,35927-40-3
C_ID C00006179 ,
InChIKey XBGYTZHKGMCEGE-HVWMPVMFNA-N
InChICode InChI=1S/C26H28O15/c27-5-13-18(33)21(36)23(38)26(41-13)15-19(34)14-10(30)4-12(7-1-2-8(28)9(29)3-7)40-24(14)16(20(15)35)25-22(37)17(32)11(31)6-39-25/h1-4,11,13,17-18,21-23,25-29,31-38H,5-6H2/t11-,13-,17-,18+,21-,22-,23+,25-,26-/m0/s1
SMILES O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3OC[C@@H](O)[C@H](O)C3O)c(O)c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEphedraceaeEphedra spp. Ref.
PlantaeLabiataeVitex lucens Ref.
PlantaePoaceaeDactylis glomerata Ref.
PlantaePoaceaeTriticum aestivum Ref.
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