Petunidin

CAS Registry Number®

1429-30-7
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CAS Name

Petunidin

Molecular Formula

C16H13O7.Cl

Cite this Page

Petunidin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=1429-30-7 (retrieved 2022-08-19) (CAS RN: 1429-30-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H12O7.ClH/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16;/h2-6H,1H3,(H4-,17,18,19,20,21);1H

InChIKey

InChIKey=QULMBDNPZCFSPR-UHFFFAOYSA-N

SMILES

OC=1C(C2=CC(OC)=C(O)C(O)=C2)=[O+]C3=C(C1)C(O)=CC(O)=C3.[Cl-]

Canonical SMILES

[Cl-].OC=1C=C(O)C=2C=C(O)C(=[O+]C2C1)C=3C=C(O)C(O)=C(OC)C3

Other Names for this Substance

  • 1-Benzopyrylium, 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-, chloride (1:1)
  • Petunidin
  • Flavylium, 3,3′,4′,5,7-pentahydroxy-5′-methoxy-, chloride
  • 1-Benzopyrylium, 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-, chloride
  • 3,3′,4′,5,7-Pentahydroxy-5′-methoxyflavylium chloride