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(Q105344073)
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English
Anthraquinone base + 1O, MeOH, 1MeO, O-Hex-Pen
group of stereoisomers with the chemical formula C₂₇H₃₀O₁₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic anthraquinones
1 reference
inferred from
biogenic anthraquinones
mass
578.16355564
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₃₀O₁₄
0 references
canonical SMILES
O=C1C=2C=CC=CC2C(=O)C3=C(OC)C(=C(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)C=C13)CO
0 references
found in taxon
Pentas suswaensis
1 reference
stated in
Naphthoquinoid pigments from Pentas longiflora
Lasianthus acuminatissimus
1 reference
stated in
Three new and antitumor anthraquinone glycosides from Lasianthus acuminatissimus MERR.
Identifiers
InChI
InChI=1S/C27H30O14/c1-37-25-13(7-28)15(6-12-17(25)19(31)11-5-3-2-4-10(11)18(12)30)40-27-24(36)22(34)21(33)16(41-27)9-39-26-23(35)20(32)14(29)8-38-26/h2-6,14,16,20-24,26-29,32-36H,7-9H2,1H3
0 references
InChIKey
XXKWBXGHSBIVHQ-UHFFFAOYSA-N
0 references
PubChem CID
75130901
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XXKWBXGHSBIVHQ-UHFFFAOYSA-N
UniChem compound ID
80067969
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309400
1 reference
InChIKey
XXKWBXGHSBIVHQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
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