Cyanidin 3-O-rutinoside
CAS Registry Number®
28338-59-2
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CAS Name
Cyanidin 3-O-rutinosideMolecular Formula
C27H31O15Cite this Page
Cyanidin 3-O-rutinoside. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=28338-59-2 (retrieved ) (CAS RN: 28338-59-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1
InChIKey
InChIKey=USNPULRDBDVJAO-FXCAAIILSA-O
SMILES
O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O)=C(O)C=C3)[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@H]4O
Canonical SMILES
OC=1C=C(O)C=2C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=[O+]C2C1)C=5C=CC(O)=C(O)C5
Other Names for this Substance
- 1-Benzopyrylium, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
- Flavylium, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-3′,4′,5,7-tetrahydroxy-
- 3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium
- Cyanidin 3-β-D-O-rutinoside
- Cyanidin 3-O-rutinoside
Deleted or Replaced CAS Registry Numbers
259813-55-3
