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(Q77386913)
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Ruguloxanthone A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3-(1,11-dihydroxy-5-methyl-12-oxo-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-8-yl)-2,2-dimethylpropanal
1 reference
based on heuristic
inferred from SMILES
mass
422.172938552
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
ruguloxanthone A
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₂₆O₆
0 references
canonical SMILES
O=CC(C)(C)CC1=CC=C(O)C=2C(=O)C3=C(OC21)C=C(C=4OCC(C(=C)C)C(O)C43)C
0 references
isomeric SMILES
CC1=CC2=C(C3=C1OC[C@@H]([C@H]3O)C(=C)C)C(=O)C4=C(C=CC(=C4O2)CC(C)(C)C=O)O
0 references
found in taxon
Aspergillus rugulosus
3 references
stated in
Prenylxanthones and a bicyclo[3.3.1]nona-2,6-diene derivative from the fungus Emericella rugulosa.
stated in
Prenylxanthones and a bicyclo[3.3.1]nona-2,6-diene derivative from the fungus Emericella rugulosa.
stated in
Prenylxanthones and a bicyclo[3.3.1]nona-2,6-diene derivative from the fungus Emericella rugulosa.
Identifiers
InChI
InChI=1S/C25H26O6/c1-12(2)15-10-30-23-13(3)8-17-19(20(23)21(15)28)22(29)18-16(27)7-6-14(24(18)31-17)9-25(4,5)11-26/h6-8,11,15,21,27-28H,1,9-10H2,2-5H3/t15-,21-/m1/s1
0 references
InChIKey
JDSJQMDLJSHVII-QVKFZJNVSA-N
2 references
stated in
PubChem
PubChem CID
44255148
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
44255148
language of work or name
English
PubChem CID
44255148
2 references
stated in
PubChem
PubChem CID
44255148
language of work or name
English
matched by identifier from
InChIKey
InChIKey
JDSJQMDLJSHVII-QVKFZJNVSA-N
ChEBI ID
204603
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C25H26O6/c1-12(2)15-10-30-23-13(3)8-17-19(20(23)21(15)28)22(29)18-16(27)7-6-14(24(18)31-17)9-25(4,5)11-26/h6-8,11,15,21,27-28H,1,9-10H2,2-5H3/t15-,21-/m1/s1
UniChem compound ID
138300
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA007736
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JDSJQMDLJSHVII-QVKFZJNVSA-N
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