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(Q105121995)
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Phomactin B1
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
14,16-Dihydroxy-5,9,12,13,16-pentamethyl-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one
1 reference
based on heuristic
inferred from SMILES
mass
334.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3S,5R,8Z,12S,13S,14S,16R)-14,16-dihydroxy-5,9,12,13,16-pentamethyl-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Phomactin B
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₄
0 references
canonical SMILES
O=C1C2=CC(O)C(C)C(C)(CCC(=CCCC3(OC13)C)C)C2(O)C
0 references
isomeric SMILES
C/C1=C\CC[C@@]2(C)O[C@@H]2C(=O)C2=C[C@@H](O)[C@@H](C)[C@](C)(CC1)[C@@]2(C)O
0 references
found in taxon
Phoma
1 reference
stated in
Phomactins, novel PAF antagonists from marine fungus Phoma sp.
Identifiers
InChI
InChI=1S/C20H30O4/c1-12-7-6-9-19(4)17(24-19)16(22)14-11-15(21)13(2)18(3,10-8-12)20(14,5)23/h7,11,13,15,17,21,23H,6,8-10H2,1-5H3/b12-7+/t13-,15-,17-,18+,19-,20+/m1/s1
0 references
InChIKey
IXABPXZNFDNAMM-SIMHYOILSA-N
0 references
PubChem CID
10472079
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IXABPXZNFDNAMM-SIMHYOILSA-N
ChEBI ID
212046
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H30O4/c1-12-7-6-9-19(4)17(24-19)16(22)14-11-15(21)13(2)18(3,10-8-12)20(14,5)23/h7,11,13,15,17,21,23H,6,8-10H2,1-5H3/b12-7+/t13-,15-,17-,18+,19-,20+/m1/s1
UniChem compound ID
33982862
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA018859
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IXABPXZNFDNAMM-SIMHYOILSA-N
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