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(Q110204630)
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English
YGM 1B
group of stereoisomers
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Statements
instance of
group of stereoisomers
0 references
subclass of
organic cation
0 references
mass
1,097.27687285609
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅₁H₅₃O₂₇⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(OCC1OC(OC2C(O)C(O)C(OC2OC3=CC=4C(OC5OC(CO)C(O)C(O)C5O)=CC(O)=CC4[O+]=C3C=6C=CC(O)=C(O)C6)COC(=O)C=CC7=CC=C(O)C(O)=C7)C(O)C(O)C1O)C=CC8=CC=C(O)C(O)=C8
0 references
found in taxon
Ipomoea purpurea
3 references
stated in
Acylated anthocyanins from Ipomoea cairica
stated in
Acylated cyanidin glycosides in the violet-blue flowers of Ipomoea purpurea
stated in
Chemical structures of two anthocyanins from purple sweet potato, Ipomoea batatas
sweet potato
2 references
stated in
Acylated anthocyanins from Ipomoea cairica
stated in
Acylated cyanidin glycosides in the violet-blue flowers of Ipomoea purpurea
Identifiers
InChI
InChI=1S/C51H52O27/c52-17-34-39(62)42(65)45(68)49(75-34)73-32-15-23(53)14-31-24(32)16-33(47(72-31)22-5-8-27(56)30(59)13-22)74-51-48(44(67)41(64)36(77-51)19-71-38(61)10-4-21-2-7-26(55)29(58)12-21)78-50-46(69)43(66)40(63)35(76-50)18-70-37(60)9-3-20-1-6-25(54)28(57)11-20/h1-16,34-36,39-46,48-52,62-69H,17-19H2,(H6-,53,54,55,56,57,58,59,60,61)/p+1
0 references
InChIKey
QROHSXUMSFREKB-UHFFFAOYSA-O
0 references
PubChem CID
74976974
2 references
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
matched by identifier from
InChIKey
InChIKey
QROHSXUMSFREKB-UHFFFAOYSA-O
131751769
2 references
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
matched by identifier from
InChIKey
InChIKey
QROHSXUMSFREKB-UHFFFAOYSA-O
UniChem compound ID
32000045
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0035460
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QROHSXUMSFREKB-UHFFFAOYSA-O
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