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(Q105157644)
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English
Acrimarine H
group of stereoisomers with the chemical formula C₃₀H₂₇NO₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
acridone alkaloid
1 reference
inferred from
acridone alkaloid
biogenic coumarin
1 reference
inferred from
biogenic coumarin
mass
513.178752204
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₂₇NO₇
0 references
canonical SMILES
O=C1OC=2C=C(OC)C(=CC2C=C1)C(C=C(C)C)C3=C(OC)C=C4C(C(=O)C=5C=CC=C(O)C5N4C)=C3O
0 references
found in taxon
mandarin orange
1 reference
stated in
Isolation of new constituents from Citrus plants.
Citrus unshiu
1 reference
stated in
Isolation of new constituents from Citrus plants.
Citrus × deliciosa
1 reference
stated in
Isolation of new constituents from Citrus plants.
Identifiers
InChI
InChI=1S/C30H27NO7/c1-15(2)11-19(18-12-16-9-10-25(33)38-22(16)14-23(18)36-4)26-24(37-5)13-20-27(30(26)35)29(34)17-7-6-8-21(32)28(17)31(20)3/h6-14,19,32,35H,1-5H3
0 references
InChIKey
LUTVFOXEXBZKQE-UHFFFAOYSA-N
0 references
CAS Registry Number
132185-44-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
14702537
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
142252
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C30H27NO7/c1-15(2)11-19(18-12-16-9-10-25(33)38-22(16)14-23(18)36-4)26-24(37-5)13-20-27(30(26)35)29(34)17-7-6-8-21(32)28(17)31(20)3/h6-14,19,32,35H,1-5H3
UniChem compound ID
32009612
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID601106021
1 reference
matched by identifier from
InChIKey
InChIKey
LUTVFOXEXBZKQE-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0038599
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LUTVFOXEXBZKQE-UHFFFAOYSA-N
KNApSAcK ID
C00052184
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LUTVFOXEXBZKQE-UHFFFAOYSA-N
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