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(Q75067233)
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Scopararane B
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
5-Ethenyl-3,6,9,10-tetrahydroxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one
1 reference
based on heuristic
inferred from SMILES
mass
364.188588616
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,3S,5R,6S,9S,10R)-5-ethenyl-3,6,9,10-tetrahydroxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one
1 reference
based on heuristic
inferred from InChI
Eutypellone B
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₈O₆
0 references
canonical SMILES
O=C1C2=C(C(O)CC(C=C)(C)C2O)C34COC1(O)C3(O)C(C)(C)CCC4
0 references
isomeric SMILES
C[C@]1(C[C@H](C2=C([C@@H]1O)C(=O)[C@@]3([C@]4([C@]2(CCCC4(C)C)CO3)O)O)O)C=C
0 references
found in taxon
Peroneutypa scoparia
1 reference
stated in
Pimarane Diterpene and Cytochalasin Derivatives from the Endophytic FungusEutypellascopariaPSU-D44
Identifiers
InChI
InChI=1S/C20H28O6/c1-5-17(4)9-11(21)13-12(14(17)22)15(23)19(24)20(25)16(2,3)7-6-8-18(13,20)10-26-19/h5,11,14,21-22,24-25H,1,6-10H2,2-4H3/t11-,14+,17-,18-,19-,20+/m1/s1
0 references
InChIKey
SKVSRCSHPJLAFK-OYWFEPEISA-N
2 references
stated in
PubChem
PubChem CID
139583765
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139583765
language of work or name
English
PubChem CID
139583765
2 references
stated in
PubChem
PubChem CID
139583765
language of work or name
English
matched by identifier from
InChIKey
InChIKey
SKVSRCSHPJLAFK-OYWFEPEISA-N
ChEBI ID
199621
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H28O6/c1-5-17(4)9-11(21)13-12(14(17)22)15(23)19(24)20(25)16(2,3)7-6-8-18(13,20)10-26-19/h5,11,14,21-22,24-25H,1,6-10H2,2-4H3/t11-,14+,17-,18-,19-,20+/m1/s1
UniChem compound ID
170907319
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA002407
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SKVSRCSHPJLAFK-OYWFEPEISA-N
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