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(Q77497127)
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Pestalotiollide B
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(1,2-dihydroxy-3-methylbut-3-enyl)-6-hydroxy-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one
1 reference
based on heuristic
inferred from SMILES
mass
386.136553044
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Pestalotiollide A
1 reference
based on heuristic
inferred from InChI
2-[(1S,2R)-1,2-dihydroxy-3-methylbut-3-enyl]-6-hydroxy-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₂O₇
0 references
canonical SMILES
O=C1OCC2=CC(=CC(O)=C2OC3=CC=C(C(OC)=C13)C(O)C(O)C(=C)C)C
0 references
isomeric SMILES
CC1=CC2=C(C(=C1)O)OC3=C(C(=C(C=C3)[C@@H]([C@H](C(=C)C)O)O)OC)C(=O)OC2
0 references
found in taxon
Pestalotiopsis
1 reference
stated in
Polyketide derivatives of endophytic fungus Pestalotiopsis sp. isolated from the Chinese mangrove plant Rhizophora mucronata
Rhizophora mucronata
1 reference
stated in
Polyketide derivatives of endophytic fungus Pestalotiopsis sp. isolated from the Chinese mangrove plant Rhizophora mucronata
Identifiers
InChI
InChI=1S/C21H22O7/c1-10(2)17(23)18(24)13-5-6-15-16(20(13)26-4)21(25)27-9-12-7-11(3)8-14(22)19(12)28-15/h5-8,17-18,22-24H,1,9H2,2-4H3/t17-,18-/m0/s1
0 references
InChIKey
HHLSDNCZICXJDV-ROUUACIJSA-N
2 references
stated in
PubChem
PubChem CID
52920650
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
52920650
language of work or name
English
PubChem CID
52920650
2 references
stated in
PubChem
PubChem CID
52920650
language of work or name
English
matched by identifier from
InChIKey
InChIKey
HHLSDNCZICXJDV-ROUUACIJSA-N
ChEBI ID
214604
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H22O7/c1-10(2)17(23)18(24)13-5-6-15-16(20(13)26-4)21(25)27-9-12-7-11(3)8-14(22)19(12)28-15/h5-8,17-18,22-24H,1,9H2,2-4H3/t17-,18-/m0/s1
UniChem compound ID
34038276
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA010566
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HHLSDNCZICXJDV-ROUUACIJSA-N
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