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Nigrospoxydon B
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
nigrospoxydon B
1 reference
based on heuristic
inferred from SMILES
mass
450.18898254
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1R,5R,6S)-5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl] (2S)-2-[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy-4-methylpentanoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₃H₃₀O₉
0 references
canonical SMILES
O=C(OC)C(OC(C(=O)OC1C(=O)C(=CC(O)C1O)CO)CC(C)C)CC=2C=CC=CC2
0 references
isomeric SMILES
COC(=O)C(Cc1ccccc1)OC(CC(C)C)C(=O)O[C@H]1C(=O)C(CO)=C[C@@H](O)[C@@H]1O
0 references
found in taxon
Nigrospora
1 reference
stated in
Epoxydons and a pyrone from the marine-derived fungus Nigrospora sp. PSU-F5.
Identifiers
InChI
InChI=1S/C23H30O9/c1-13(2)9-17(31-18(22(28)30-3)10-14-7-5-4-6-8-14)23(29)32-21-19(26)15(12-24)11-16(25)20(21)27/h4-8,11,13,16-18,20-21,24-25,27H,9-10,12H2,1-3H3/t16-,17?,18?,20+,21+/m1/s1
0 references
InChIKey
WKPWSSVSBBBVAQ-VWHSNLPJSA-N
2 references
stated in
PubChem
PubChem CID
25016663
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
25016663
language of work or name
English
PubChem CID
25016663
2 references
stated in
PubChem
PubChem CID
25016663
language of work or name
English
matched by identifier from
InChIKey
InChIKey
WKPWSSVSBBBVAQ-VWHSNLPJSA-N
ChEBI ID
211825
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H30O9/c1-13(2)9-17(31-18(22(28)30-3)10-14-7-5-4-6-8-14)23(29)32-21-19(26)15(12-24)11-16(25)20(21)27/h4-8,11,13,16-18,20-21,24-25,27H,9-10,12H2,1-3H3/t16-,17?,18?,20+,21+/m1/s1
UniChem compound ID
501449
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA014427
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WKPWSSVSBBBVAQ-VWHSNLPJSA-N
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