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(Q77373722)
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English
10,11-epoxychlorovulone
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 7-[1-chloro-4-hydroxy-4-(oct-2-en-1-yl)-2-oxo-6-oxabicyclo[3.1.0]hexan-3-ylidene]hept-5-enoate
1 reference
based on heuristic
inferred from SMILES
mass
396.170351708
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₉ClO₅
0 references
canonical SMILES
O=C(OC)CCCC=CC=C1C(=O)C2(Cl)OC2C1(O)CC=CCCCCC
0 references
isomeric SMILES
CCCCC/C=C\C[C@]1(O)/C(=C\C=C/CCCC(=O)OC)C(=O)[C@@]2(Cl)O[C@@H]12
0 references
found in taxon
Clavularia viridis
1 reference
stated in
A new marine epoxy prostanoid with an antiproliferative activity from the stolonifer Clavularia viridis Quoy and Gaimard.
Identifiers
InChI
InChI=1S/C21H29ClO5/c1-3-4-5-6-9-12-15-20(25)16(18(24)21(22)19(20)27-21)13-10-7-8-11-14-17(23)26-2/h7,9-10,12-13,19,25H,3-6,8,11,14-15H2,1-2H3/b10-7-,12-9-,16-13-/t19-,20-,21+/m0/s1
0 references
InChIKey
VQTGQBDTRZNQSB-ZKVKOFCJSA-N
2 references
stated in
PubChem
PubChem CID
5283226
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
5283226
language of work or name
English
PubChem CID
5283226
2 references
stated in
PubChem
PubChem CID
5283226
language of work or name
English
matched by identifier from
InChIKey
InChIKey
VQTGQBDTRZNQSB-ZKVKOFCJSA-N
ChEBI ID
165255
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H29ClO5/c1-3-4-5-6-9-12-15-20(25)16(18(24)21(22)19(20)27-21)13-10-7-8-11-14-17(23)26-2/h7,9-10,12-13,19,25H,3-6,8,11,14-15H2,1-2H3/b10-7-,12-9-,16-13-/t19-,20-,21+/m0/s1
UniChem compound ID
61357543
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA005668
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VQTGQBDTRZNQSB-ZKVKOFCJSA-N
LIPID MAPS ID
LMFA03120012
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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