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(Q76415344)
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English
7-acetoxy-7,8-dihydroiodovulone I
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(5E,7R,8R,14Z)-7-Acetoxy-10-iodo-12-hydroxy-9-oxoprosta-5,10,14-triene-1-oic acid methyl ester
1 reference
based on heuristic
inferred from SMILES
mass
532.1321867759999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
methyl (7S)-7-acetyloxy-7-[(1R,2S)-2-hydroxy-4-iodo-2-oct-2-enyl-5-oxocyclopent-3-en-1-yl]hept-5-enoate
1 reference
based on heuristic
inferred from InChI
7-Acetoxy-7,8-dihydroiodovulone II
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₃H₃₃IO₆
0 references
canonical SMILES
O=C(OC(C=CCCCC(=O)OC)C1C(=O)C(I)=CC1(O)CC=CCCCCC)C
0 references
isomeric SMILES
CCCCC/C=C\C[C@]1(C=C(C(=O)[C@@H]1[C@H](/C=C\CCCC(=O)OC)OC(=O)C)I)O
0 references
found in taxon
Clavularia viridis
4 references
stated in
New halogenated marine prostanoids with cytotoxic activity from the Okinawan soft coral Clavularia viridis
stated in
New prostanoids with cytotoxic activity from Taiwanese octocoral Clavularia viridis
stated in
Isolation and structures of new halogenated prostanoids from the Okinawan soft coral Clavularia viridis.
stated in
New halogenated marine prostanoids with cytotoxic activity from the Okinawan soft coral Clavularia viridis
Identifiers
InChI
InChI=1S/C23H33IO6/c1-4-5-6-7-8-12-15-23(28)16-18(24)22(27)21(23)19(30-17(2)25)13-10-9-11-14-20(26)29-3/h8,10,12-13,16,19,21,28H,4-7,9,11,14-15H2,1-3H3/b12-8-,13-10-/t19-,21-,23+/m0/s1
0 references
InChIKey
PHLDSBOKGDMUEL-WAALSUGPSA-N
0 references
PubChem CID
10256517
1 reference
matched by identifier from
InChIKey
InChIKey
PHLDSBOKGDMUEL-WAALSUGPSA-N
ChEBI ID
229877
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H33IO6/c1-4-5-6-7-8-12-15-23(28)16-18(24)22(27)21(23)19(30-17(2)25)13-10-9-11-14-20(26)29-3/h8,10,12-13,16,19,21,28H,4-7,9,11,14-15H2,1-3H3/b12-8-,13-10-/t19-,21-,23+/m0/s1
UniChem compound ID
9519
1 reference
stated in
UniChem
LIPID MAPS ID
LMFA03120055
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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