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(Q77384134)
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Isoaltenuene
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
6H-Dibenzo[b,d]pyran-6-one, 2,3,4,4a-tetrahydro-2,3,7-trihydroxy-9-methoxy-4a-methyl-, (2R,3R,4aR)-rel-
1 reference
based on heuristic
inferred from SMILES
mass
292.094688232
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
altenuene
1 reference
based on heuristic
inferred from InChI
Altenuene
1 reference
based on heuristic
inferred from InChI
4′-Epialtenuene
1 reference
based on heuristic
inferred from InChI
5'-Epialtenuene
1 reference
based on heuristic
inferred from InChI
(-)-(2S,3S,4aR)-isoaltenuene
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₆O₆
0 references
canonical SMILES
O=C1OC2(C(=CC(O)C(O)C2)C=3C=C(OC)C=C(O)C13)C
0 references
isomeric SMILES
C[C@]12C[C@H]([C@@H](C=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O)O
0 references
found in taxon
Sonneratia alba
1 reference
stated in
Xanalteric Acids I and II and Related Phenolic Compounds from an EndophyticAlternariasp. Isolated from the Mangrove PlantSonneratia alba
Tubeufiaceae
1 reference
stated in
Altenuene derivatives from an unidentified freshwater fungus in the family Tubeufiaceae
Identifiers
InChI
InChI=1S/C15H16O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-5,10,12,16-18H,6H2,1-2H3/t10-,12-,15+/m1/s1
0 references
InChIKey
MMHTXEATDNFMMY-HCKVZZMMSA-N
2 references
stated in
PubChem
PubChem CID
180444
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
180444
language of work or name
English
CAS Registry Number
126671-80-5
0 references
PubChem CID
180444
2 references
stated in
PubChem
PubChem CID
180444
language of work or name
English
matched by identifier from
InChIKey
InChIKey
MMHTXEATDNFMMY-HCKVZZMMSA-N
ChEBI ID
204145
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H16O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-5,10,12,16-18H,6H2,1-2H3/t10-,12-,15+/m1/s1
UniChem compound ID
481405
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80925666
1 reference
matched by identifier from
InChIKey
InChIKey
MMHTXEATDNFMMY-HCKVZZMMSA-N
DSSTOX compound identifier
DTXCID601354492
0 references
Natural Product Atlas ID
NPA007197
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MMHTXEATDNFMMY-HCKVZZMMSA-N
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