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(Q104168739)
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English
Tomentosic acid
group of stereoisomers with the chemical formula C₃₀H₄₈O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
504.345089256
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₄₈O₆
0 references
canonical SMILES
O=C(O)C12CCC3(C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C(O)C(C)(C)CC1)C
0 references
found in taxon
Terminalia engleri
1 reference
stated in
Triterpenoids of Terminalia sericea
Picrorhiza kurroa
1 reference
stated in
Cyclooxygenase-2 enzyme inhibitory triterpenoids from Picrorhiza kurroa seeds
Identifiers
InChI
InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)
0 references
InChIKey
IFIQVSCCFRXSJV-UHFFFAOYSA-N
0 references
PubChem CID
622032
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
IFIQVSCCFRXSJV-UHFFFAOYSA-N
ChEBI ID
168066
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)
UniChem compound ID
29457971
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0034501
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IFIQVSCCFRXSJV-UHFFFAOYSA-N
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