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(Q75065513)
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Tanzawaic acid E
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
5-(6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1H-naphthalen-1-yl)penta-2,4-dienoic acid
1 reference
based on heuristic
inferred from SMILES
mass
290.188194692
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2E,4E)-5-[(1R,2S,4aS,6R,8R,8aR)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1H-naphthalen-1-yl]penta-2,4-dienoic acid
1 reference
based on heuristic
inferred from InChI
Tanzawaic acid E
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₆O₃
0 references
canonical SMILES
O=C(O)C=CC=CC1C(C=CC2CC(O)(C)CC(C)C21)C
0 references
isomeric SMILES
C[C@H]1C[C@](C[C@@H]2[C@@H]1[C@@H]([C@@H](C=C2)C)/C=C/C=C/C(=O)O)(C)O
0 references
found in taxon
Penicillium citrinum
1 reference
stated in
Secondary metabolites characteristic of Penicillium citrinum, Penicillium steckii and related species
Penicillium steckii
1 reference
stated in
Secondary metabolites characteristic of Penicillium citrinum, Penicillium steckii and related species
Identifiers
InChI
InChI=1S/C18H26O3/c1-12-8-9-14-11-18(3,21)10-13(2)17(14)15(12)6-4-5-7-16(19)20/h4-9,12-15,17,21H,10-11H2,1-3H3,(H,19,20)/b6-4+,7-5+/t12-,13+,14-,15-,17-,18+/m1/s1
0 references
InChIKey
GGRDDTWLVPZMAU-KWMARLCDSA-N
2 references
stated in
PubChem
PubChem CID
139583694
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139583694
language of work or name
English
PubChem CID
139583694
2 references
stated in
PubChem
PubChem CID
139583694
language of work or name
English
matched by identifier from
InChIKey
InChIKey
GGRDDTWLVPZMAU-KWMARLCDSA-N
ChEBI ID
199383
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H26O3/c1-12-8-9-14-11-18(3,21)10-13(2)17(14)15(12)6-4-5-7-16(19)20/h4-9,12-15,17,21H,10-11H2,1-3H3,(H,19,20)/b6-4+,7-5+/t12-,13+,14-,15-,17-,18+/m1/s1
UniChem compound ID
153623350
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA002135
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GGRDDTWLVPZMAU-KWMARLCDSA-N
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