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(Q105297788)
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English
hildgardtene
group of stereoisomers with the chemical formula C₂₁H₂₀O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
320.14124449999997
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₁H₂₀O₃
0 references
canonical SMILES
O(C1=CC=2OC(C(=C)C)CC2C=3OC(C=CC13)C=4C=CC=CC4)C
0 references
isomeric SMILES
C=C(C)C1Cc2c(cc(OC)c3c2O[C@H](c2ccccc2)C=C3)O1
0 references
Identifiers
InChI
InChI=1S/C21H20O3/c1-13(2)18-11-16-20(23-18)12-19(22-3)15-9-10-17(24-21(15)16)14-7-5-4-6-8-14/h4-10,12,17-18H,1,11H2,2-3H3/t17-,18?/m0/s1
0 references
InChIKey
VVPMOJMAMXGTAR-ZENAZSQFSA-N
0 references
PubChem CID
44257204
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VVPMOJMAMXGTAR-ZENAZSQFSA-N
ChEBI ID
179642
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H20O3/c1-13(2)18-11-16-20(23-18)12-19(22-3)15-9-10-17(24-21(15)16)14-7-5-4-6-8-14/h4-10,12,17-18H,1,11H2,2-3H3/t17-,18?/m0/s1
UniChem compound ID
51347791
1 reference
stated in
UniChem
LIPID MAPS ID
LMPK12020282
1 reference
InChIKey
VVPMOJMAMXGTAR-ZENAZSQFSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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