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English
budlein B
chemical compound
[(1S,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
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Statements
instance of
type of chemical entity
0 references
subclass of
germacrane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
264.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aR,4S,6Z,10E,11aR)-4-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
oxystin
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aR,4S,6E,10Z,11aR)-4-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aR,4R,6Z,10Z,11aR)-4-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
1 reference
based on heuristic
inferred from InChI
Deacetylovatifolin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₄
0 references
canonical SMILES
O=C1OC2C=C(C)CCC=C(CO)CC(O)C2C1=C
0 references
isomeric SMILES
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/CO)C[C@H](O)[C@@H]12
0 references
found in taxon
Inula salsoloides
2 references
stated in
Sesquiterpene lactones from Inula salsoloides
stated in
Further sesquiterpene lactones from Inula salsoloides
Eupatorium chinense
1 reference
stated in
Cytotoxic Sesquiterpenoids fromEupatorium chinense.
Gonzalezia hypargyrea
1 reference
stated in
Sesquiterpene lactones from Viguiera hypargyrea
Aldama atacamensis
1 reference
stated in
15-Hydroxy-acetylerioflorin and other constituents from Viguiera linearis
Helianthus petiolaris
1 reference
stated in
Chemosystematic Investigation of the Annual Species of Helianthus (Asteraceae)
common sunflower
1 reference
stated in
Chemosystematic Investigation of the Annual Species of Helianthus (Asteraceae)
Aldama linearis
1 reference
stated in
15-Hydroxy-acetylerioflorin and other constituents from Viguiera linearis
Identifiers
InChI
InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h5-6,12-14,16-17H,2-4,7-8H2,1H3/b9-6+,11-5+/t12-,13+,14+/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
IAYQFYAFBVYKJZ-MZFVZPGVSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
13858240
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
IAYQFYAFBVYKJZ-MZFVZPGVSA-N
ChEBI ID
145099
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h5-6,12-14,16-17H,2-4,7-8H2,1H3/b9-6+,11-5+/t12-,13+,14+/m0/s1
UniChem compound ID
154183600
1 reference
stated in
UniChem
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