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(Q105228071)
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English
2,3-Dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
group of stereoisomers with the chemical formula C₂₆H₄₂O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
kaurane diterpenoid
1 reference
inferred from
kaurane diterpenoid
mass
530.6061
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₄₂O₁₁
0 references
canonical SMILES
O=C(O)C1(C)CCCC2(C)C3CCC4CC3(CC4(OC5OC(CO)C(O)C(O)C5O)CO)C(O)C(O)C12
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Identifiers
InChI
InChI=1S/C26H42O11/c1-23-6-3-7-24(2,22(34)35)19(23)18(32)20(33)25-8-12(4-5-14(23)25)26(10-25,11-28)37-21-17(31)16(30)15(29)13(9-27)36-21/h12-21,27-33H,3-11H2,1-2H3,(H,34,35)
0 references
InChIKey
QUCGBWQRLWOVBR-UHFFFAOYSA-N
0 references
PubChem CID
56677731
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QUCGBWQRLWOVBR-UHFFFAOYSA-N
ChEBI ID
181636
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C26H42O11/c1-23-6-3-7-24(2,22(34)35)19(23)18(32)20(33)25-8-12(4-5-14(23)25)26(10-25,11-28)37-21-17(31)16(30)15(29)13(9-27)36-21/h12-21,27-33H,3-11H2,1-2H3,(H,34,35)
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