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Flexusine B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6,10,14-Trimethyl-3-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-4-one
1 reference
based on heuristic
inferred from SMILES
mass
302.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
flexusine B
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,2Z,6Z,10E,14S)-6,10,14-trimethyl-3-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-4-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₂
0 references
canonical SMILES
O=C1C(=CC2OC2(C)CCC=C(C)CCC=C(C)C1)C(C)C
0 references
isomeric SMILES
C/C1=C\CC[C@@]2(C)O[C@H]2/C=C(/C(C)C)C(=O)C/C(C)=C/CC1
0 references
found in taxon
Sarcophyton flexuosum
1 reference
stated in
Flexusines A and B and epimukulol from the soft coral Sarcophyton flexuosum
Identifiers
InChI
InChI=1S/C20H30O2/c1-14(2)17-13-19-20(5,22-19)11-7-10-15(3)8-6-9-16(4)12-18(17)21/h9-10,13-14,19H,6-8,11-12H2,1-5H3/b15-10+,16-9+,17-13-/t19-,20+/m0/s1
0 references
InChIKey
XYGZKBQEGUFULA-KSMWEHMVSA-N
0 references
PubChem CID
102393973
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
XYGZKBQEGUFULA-KSMWEHMVSA-N
UniChem compound ID
96617521
1 reference
stated in
UniChem
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