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Ruguloxanthone B
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
1,11-dihydroxy-5-methyl-8-(3-methyl-2-oxobutyl)-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one
1 reference
based on heuristic
inferred from SMILES
mass
422.172938552
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,2S)-1,11-dihydroxy-5-methyl-8-(3-methyl-2-oxobutyl)-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₂₆O₆
0 references
canonical SMILES
O=C1C=2C(O)=CC=C(C2OC=3C=C(C=4OCC(C(=C)C)C(O)C4C13)C)CC(=O)C(C)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(=O)C(C)C)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/c1-11(2)15-10-30-24-13(5)8-18-20(21(24)22(15)28)23(29)19-16(26)7-6-14(25(19)31-18)9-17(27)12(3)4/h6-8,12,15,22,26,28H,1,9-10H2,2-5H3/t15-,22-/m1/s1
0 references
InChIKey
YYWJPHKWQNAJGS-IVZQSRNASA-N
2 references
stated in
PubChem
PubChem CID
44255149
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
44255149
language of work or name
English
PubChem CID
44255149
2 references
stated in
PubChem
PubChem CID
44255149
language of work or name
English
matched by identifier from
InChIKey
InChIKey
YYWJPHKWQNAJGS-IVZQSRNASA-N
ChEBI ID
214277
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C25H26O6/c1-11(2)15-10-30-24-13(5)8-18-20(21(24)22(15)28)23(29)19-16(26)7-6-14(25(19)31-18)9-17(27)12(3)4/h6-8,12,15,22,26,28H,1,9-10H2,2-5H3/t15-,22-/m1/s1
UniChem compound ID
3627
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA010505
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YYWJPHKWQNAJGS-IVZQSRNASA-N
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