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(Q105291679)
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English
7-Hydroxycostal
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
eudesmane sesquiterpenoid
0 references
mass
234.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂O₂
0 references
canonical SMILES
O=CC(=C)C1(O)CCC2(C)CCCC(=C)C2C1
0 references
isomeric SMILES
C=C1CCC[C@]2(C)CC[C@@](O)(C(=C)C=O)C[C@@H]12
0 references
found in taxon
sweet potato
1 reference
stated in
A new class of sweet potato phytoalexins
Identifiers
InChI
InChI=1S/C15H22O2/c1-11-5-4-6-14(3)7-8-15(17,9-13(11)14)12(2)10-16/h10,13,17H,1-2,4-9H2,3H3/t13-,14+,15-/m0/s1
0 references
InChIKey
VRDBEJGMTYROKE-ZNMIVQPWSA-N
0 references
CAS Registry Number
86703-04-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
14165821
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VRDBEJGMTYROKE-ZNMIVQPWSA-N
ChEBI ID
196137
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H22O2/c1-11-5-4-6-14(3)7-8-15(17,9-13(11)14)12(2)10-16/h10,13,17H,1-2,4-9H2,3H3/t13-,14+,15-/m0/s1
UniChem compound ID
150487481
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID401116814
1 reference
matched by identifier from
InChIKey
InChIKey
VRDBEJGMTYROKE-ZNMIVQPWSA-N
UNII
0UY41B4OKK
1 reference
matched by identifier from
InChIKey
InChIKey
VRDBEJGMTYROKE-ZNMIVQPWSA-N
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