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English
(+)-Lithospermic acid
group of stereoisomers with the chemical formula C₂₇H₂₂O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic benzofuran
1 reference
inferred from
biogenic benzofuran
mass
538.1111261439997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₂₂O₁₂
0 references
canonical SMILES
O=C(OC(C(=O)O)CC1=CC=C(O)C(O)=C1)C=CC2=CC=C(O)C=3OC(C4=CC=C(O)C(O)=C4)C(C(=O)O)C23
0 references
found in taxon
Salvia miltiorrhiza
1 reference
stated in
Polyphenolics of Salvia--a review
Identifiers
InChI
InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)
0 references
InChIKey
UJZQBMQZMKFSRV-UHFFFAOYSA-N
0 references
PubChem CID
4482010
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
23005429
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0242255
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UJZQBMQZMKFSRV-UHFFFAOYSA-N
Probes And Drugs ID
PD065291
0 references
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