C00002378 - Morus alba
C_ID C00002378
CAS RN 2611-67-8
Metabolite Cyanin;Cyanidin 3,5-diglucoside
Molecular Formula C27H31O16
Organism Morus alba
Kingdom Plantae
Family Moraceae
Genus Morus
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)c1cc(c(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O
InChI InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19+,20+,21-,22+,23+,24+,26+,27+/m0/s1
InChIKey RDFLLVCQYHQOBU-ARDLSURDNA-O
Reference Harborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins;Willstatter,Ann,401(1913),189
Structural formula image