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(Q105163182)
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English
(-)-(7S,9S,10R)-3,9,12-trihydroxycalamenene
group of stereoisomers with the chemical formula C₁₅H₂₂O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
cadinane sesquiterpenoid
1 reference
inferred from
cadinane sesquiterpenoid
mass
250.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂O₃
0 references
canonical SMILES
OC=1C=C2C(=CC1C)C(CC(O)C2C)C(C)CO
0 references
isomeric SMILES
Cc1cc2c(cc1O)[C@@H](C)[C@@H](O)C[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/C15H22O3/c1-8-4-13-11(9(2)7-16)5-15(18)10(3)12(13)6-14(8)17/h4,6,9-11,15-18H,5,7H2,1-3H3/t9?,10-,11+,15+/m1/s1
0 references
InChIKey
MGBUZVXHLLSUJN-BWZYVIJJSA-N
0 references
PubChem CID
16086624
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MGBUZVXHLLSUJN-BWZYVIJJSA-N
ChEBI ID
216057
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H22O3/c1-8-4-13-11(9(2)7-16)5-15(18)10(3)12(13)6-14(8)17/h4,6,9-11,15-18H,5,7H2,1-3H3/t9?,10-,11+,15+/m1/s1
UniChem compound ID
33559626
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA019609
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MGBUZVXHLLSUJN-BWZYVIJJSA-N
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