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(Q75066780)
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English
12a-dehydroxyisoterreulactone A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
8-Hydroxy-15-(4-methoxyphenyl)-2,7,7,11-tetramethyl-6,12,16-trioxatetracyclo[9.8.0.02,8.013,18]nonadeca-13(18),14-diene-5,17-dione
1 reference
based on heuristic
inferred from SMILES
mass
468.214803364
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₃₂O₇
0 references
canonical SMILES
O=C1OC(=CC=2OC3(C)CCC4(O)C(OC(=O)CCC4(C)C3CC12)(C)C)C=5C=CC(OC)=CC5
0 references
isomeric SMILES
C[C@]12CCC(=O)OC([C@@]1(CC[C@@]3([C@@H]2CC4=C(O3)C=C(OC4=O)C5=CC=C(C=C5)OC)C)O)(C)C
0 references
found in taxon
Aspergillus terreus
1 reference
stated in
Territrem and butyrolactone derivatives from a marine-derived fungus Aspergillus terreus
Identifiers
InChI
InChI=1S/C27H32O7/c1-24(2)27(30)13-12-26(4)21(25(27,3)11-10-22(28)34-24)14-18-20(33-26)15-19(32-23(18)29)16-6-8-17(31-5)9-7-16/h6-9,15,21,30H,10-14H2,1-5H3/t21-,25-,26-,27-/m1/s1
0 references
InChIKey
MOBUBGUDFJFGGR-HHPVDLARSA-N
2 references
stated in
PubChem
PubChem CID
129905724
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
129905724
language of work or name
English
PubChem CID
129905724
2 references
stated in
PubChem
PubChem CID
129905724
language of work or name
English
matched by identifier from
InChIKey
InChIKey
MOBUBGUDFJFGGR-HHPVDLARSA-N
ChEBI ID
199500
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C27H32O7/c1-24(2)27(30)13-12-26(4)21(25(27,3)11-10-22(28)34-24)14-18-20(33-26)15-19(32-23(18)29)16-6-8-17(31-5)9-7-16/h6-9,15,21,30H,10-14H2,1-5H3/t21-,25-,26-,27-/m1/s1
UniChem compound ID
162047340
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA002265
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MOBUBGUDFJFGGR-HHPVDLARSA-N
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