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(Q104952534)
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Pachyclavulariolide B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
briarane diterpenoid
0 references
mass
332.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₄
0 references
canonical SMILES
O=C1OC2(O)C(=C1C)CC3C4(OC(CC4)C3(C)CCC=C(C)C2)C
0 references
isomeric SMILES
CC1=C2C[C@H]3[C@]4(C)CC[C@@H](O4)[C@]3(C)CC/C=C(/C)C[C@@]2(O)OC1=O
0 references
found in taxon
Briareum violaceum
1 reference
stated in
New Diterpenoids from the Octocoral Pachyclavularia violacea Collected in Papua New Guinea
Identifiers
InChI
InChI=1S/C20H28O4/c1-12-6-5-8-18(3)15(19(4)9-7-16(18)23-19)10-14-13(2)17(21)24-20(14,22)11-12/h6,15-16,22H,5,7-11H2,1-4H3/b12-6-/t15-,16-,18-,19+,20-/m1/s1
0 references
InChIKey
CBMQMSLEHCTTCY-TUZDLDCRSA-N
0 references
PubChem CID
102010169
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CBMQMSLEHCTTCY-TUZDLDCRSA-N
UniChem compound ID
96627197
1 reference
stated in
UniChem
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