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(Q105137522)
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English
(+)-(7S,10S)-3,12-dihydroxycalamenene
group of stereoisomers with the chemical formula C₁₅H₂₂O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
cadinane sesquiterpenoid
1 reference
inferred from
cadinane sesquiterpenoid
mass
234.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂O₂
0 references
canonical SMILES
OC=1C=C2C(=CC1C)C(CCC2C)C(C)CO
0 references
isomeric SMILES
Cc1cc2c(cc1O)[C@H](C)CC[C@@H]2C(C)CO
0 references
found in taxon
Phomopsis cassiae
1 reference
stated in
Cadinane sesquiterpenoids of Phomopsis cassiae, an endophytic fungus associated with Cassia spectabilis (Leguminosae)
Identifiers
InChI
InChI=1S/C15H22O2/c1-9-4-5-12(11(3)8-16)14-6-10(2)15(17)7-13(9)14/h6-7,9,11-12,16-17H,4-5,8H2,1-3H3/t9-,11?,12-/m1/s1
0 references
InChIKey
JZRBLGYAAXGCNI-WSXXKJPRSA-N
0 references
PubChem CID
139588600
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JZRBLGYAAXGCNI-WSXXKJPRSA-N
ChEBI ID
217050
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H22O2/c1-9-4-5-12(11(3)8-16)14-6-10(2)15(17)7-13(9)14/h6-7,9,11-12,16-17H,4-5,8H2,1-3H3/t9-,11?,12-/m1/s1
UniChem compound ID
170911580
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA019798
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JZRBLGYAAXGCNI-WSXXKJPRSA-N
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