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(Q105000838)
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English
(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside
group of stereoisomers with the chemical formula C₂₁H₃₄O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
spirovetivanes
1 reference
inferred from
spirovetivanes
mass
414.2253680479998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₄O₈
0 references
canonical SMILES
O=C1C=C(C)C2(CCC(C2)C(O)(C)COC3OC(CO)C(O)C(O)C3O)C(C)C1
0 references
Identifiers
InChI
InChI=1S/C21H34O8/c1-11-6-14(23)7-12(2)21(11)5-4-13(8-21)20(3,27)10-28-19-18(26)17(25)16(24)15(9-22)29-19/h6,12-13,15-19,22,24-27H,4-5,7-10H2,1-3H3
0 references
InChIKey
FSQYQQPZIHCQMQ-UHFFFAOYSA-N
0 references
PubChem CID
131751091
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FSQYQQPZIHCQMQ-UHFFFAOYSA-N
ChEBI ID
168137
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H34O8/c1-11-6-14(23)7-12(2)21(11)5-4-13(8-21)20(3,27)10-28-19-18(26)17(25)16(24)15(9-22)29-19/h6,12-13,15-19,22,24-27H,4-5,7-10H2,1-3H3
UniChem compound ID
31996081
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0030895
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FSQYQQPZIHCQMQ-UHFFFAOYSA-N
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