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(Q104399475)
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English
Zerumin A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-formylpent-3-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
318.21949482
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(+)-Zerumin A
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(E)-5-[(1S,4aS,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-formylpent-3-enoic acid
1 reference
based on heuristic
inferred from InChI
5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-formylpent-3-enoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₃
0 references
canonical SMILES
O=CC(=CCC1C(=C)CCC2C(C)(C)CCCC12C)CC(=O)O
0 references
isomeric SMILES
C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(\C=O)CC(=O)O
0 references
found in taxon
Zingiber ottensii
2 references
stated in
Terpenoids and a Diarylheptanoid from Zingiber ottensii
stated in
Terpenoids and a diarylheptanoid from Zingiber ottensii
Alpinia calcarata
1 reference
stated in
Diterpenoids from the rhizomes of Alpinia calcarata
Alpinia zerumbet
1 reference
stated in
Labdane diterpenes from Alpinia zerumbet
Curcuma heyneana
1 reference
stated in
Sesquiterpenes from the rhizomes of Curcuma heyneana
Identifiers
InChI
InChI=1S/C20H30O3/c1-14-6-9-17-19(2,3)10-5-11-20(17,4)16(14)8-7-15(13-21)12-18(22)23/h7,13,16-17H,1,5-6,8-12H2,2-4H3,(H,22,23)/b15-7-/t16-,17-,20+/m0/s1
0 references
InChIKey
ZAWWSYIDZKWRAI-DTFKRFDDSA-N
0 references
PubChem CID
11723433
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZAWWSYIDZKWRAI-DTFKRFDDSA-N
UniChem compound ID
33477417
1 reference
stated in
UniChem
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