Home
Random
Nearby
Log in
Settings
Donate
About Wikidata
Disclaimers
Search
(Q77505564)
Watch
English
3-ketotauranin
bioactive natural product
In more languages
edit
Statements
instance of
type of chemical entity
0 references
subclass of
2-[(5,5,8a-Trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)methyl]-3-hydroxy-5-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
1 reference
based on heuristic
inferred from SMILES
mass
372.193673996
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2-[[(1S,4aR,8aS)-5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]methyl]-3-hydroxy-5-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₈O₅
0 references
canonical SMILES
O=C1C=C(C(=O)C(O)=C1CC2C(=C)CCC3C(C(=O)CCC23C)(C)C)CO
0 references
isomeric SMILES
C[C@]12CCC(=O)C([C@@H]1CCC(=C)[C@@H]2CC3=C(C(=O)C(=CC3=O)CO)O)(C)C
0 references
found in taxon
Phyllosticta spinarum
3 references
stated in
Sesquiterpene quinones and related metabolites from Phyllosticta spinarum, a fungal strain endophytic in Platycladus orientalis of the Sonoran Desert
stated in
Sesquiterpene quinones and related metabolites from Phyllosticta spinarum, a fungal strain endophytic in Platycladus orientalis of the Sonoran Desert
stated in
Sesquiterpene quinones and related metabolites from Phyllosticta spinarum, a fungal strain endophytic in Platycladus orientalis of the Sonoran Desert
Identifiers
InChI
InChI=1S/C22H28O5/c1-12-5-6-17-21(2,3)18(25)7-8-22(17,4)15(12)10-14-16(24)9-13(11-23)19(26)20(14)27/h9,15,17,23,27H,1,5-8,10-11H2,2-4H3/t15-,17-,22+/m0/s1
0 references
InChIKey
QMIRFTXAKMDLAF-GIMINZRKSA-N
2 references
stated in
PubChem
PubChem CID
24800021
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
24800021
language of work or name
English
PubChem CID
24800021
2 references
stated in
PubChem
PubChem CID
24800021
language of work or name
English
matched by identifier from
InChIKey
InChIKey
QMIRFTXAKMDLAF-GIMINZRKSA-N
ChEBI ID
221394
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H28O5/c1-12-5-6-17-21(2,3)18(25)7-8-22(17,4)15(12)10-14-16(24)9-13(11-23)19(26)20(14)27/h9,15,17,23,27H,1,5-8,10-11H2,2-4H3/t15-,17-,22+/m0/s1
UniChem compound ID
34617362
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA011844
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QMIRFTXAKMDLAF-GIMINZRKSA-N
Sitelinks
Wikipedia
(0 entries)
edit
Wikibooks
(0 entries)
edit
Wikinews
(0 entries)
edit
Wikiquote
(0 entries)
edit
Wikisource
(0 entries)
edit
Wikiversity
(0 entries)
edit
Wikivoyage
(0 entries)
edit
Wiktionary
(0 entries)
edit
Multilingual sites
(0 entries)
edit
