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(Q77504273)
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Aigialomycin A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
6,7,16-Trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione
1 reference
based on heuristic
inferred from SMILES
mass
378.131467664
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2R,4R,6S,7S,12S)-6,7,16-trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₂O₈
0 references
canonical SMILES
O=C1OC(C)CC=CC(=O)C(O)C(O)CC2OC2C3=CC(OC)=CC(O)=C13
0 references
isomeric SMILES
C[C@H]1C/C=C/C(=O)[C@H]([C@H](C[C@@H]2[C@H](O2)C3=C(C(=CC(=C3)OC)O)C(=O)O1)O)O
0 references
found in taxon
Aigialus parvus
4 references
stated in
Aigialomycins A-E, new resorcylic macrolides from the marine mangrove fungus Aigialus parvus
stated in
Aigialomycins A-E, new resorcylic macrolides from the marine mangrove fungus Aigialus parvus
stated in
Aigialomycins A-E, new resorcylic macrolides from the marine mangrove fungus Aigialus parvus
stated in
Aigialomycins and related polyketide metabolites from the mangrove fungus Aigialus parvus BCC 5311
Identifiers
InChI
InChI=1S/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/b5-3+/t9-,14-,15+,17+,18+/m0/s1
0 references
InChIKey
SSNQAUBBJYCSMY-FZVFXEOBSA-N
2 references
stated in
PubChem
PubChem CID
11728572
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
11728572
language of work or name
English
PubChem CID
11728572
2 references
stated in
PubChem
PubChem CID
11728572
language of work or name
English
matched by identifier from
InChIKey
InChIKey
SSNQAUBBJYCSMY-FZVFXEOBSA-N
ChEBI ID
220223
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/b5-3+/t9-,14-,15+,17+,18+/m0/s1
UniChem compound ID
34658642
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA011633
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SSNQAUBBJYCSMY-FZVFXEOBSA-N
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