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(Q75068994)
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English
Trichothecinol C
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
4',10'-dihydroxy-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl but-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
350.172938552
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₆O₆
0 references
canonical SMILES
O=C(OC1C(O)C2OC3C=C(C)C(O)CC3(C)C1(C)C42OC4)C=CC
0 references
isomeric SMILES
C/C=C\C(=O)O[C@@H]1[C@H]([C@@H]2[C@]3([C@]1([C@]4(C[C@@H](C(=C[C@H]4O2)C)O)C)C)CO3)O
0 references
found in taxon
Trichothecium roseum
2 references
stated in
Trichothecinols A, B and C, potent anti-tumor promoting sesquiterpenoids from the fungus Trichothecium roseum
stated in
Cancer preventive potential of trichothecenes from Trichothecium roseum
Identifiers
InChI
InChI=1S/C19H26O6/c1-5-6-13(21)25-15-14(22)16-19(9-23-19)18(15,4)17(3)8-11(20)10(2)7-12(17)24-16/h5-7,11-12,14-16,20,22H,8-9H2,1-4H3/b6-5-/t11-,12+,14+,15+,16+,17-,18+,19-/m0/s1
0 references
InChIKey
DPHSCJIDHMQVIC-BPFGYNMTSA-N
2 references
stated in
PubChem
PubChem CID
9998002
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
9998002
language of work or name
English
PubChem CID
9998002
2 references
stated in
PubChem
PubChem CID
9998002
language of work or name
English
matched by identifier from
InChIKey
InChIKey
DPHSCJIDHMQVIC-BPFGYNMTSA-N
ChEBI ID
200050
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H26O6/c1-5-6-13(21)25-15-14(22)16-19(9-23-19)18(15,4)17(3)8-11(20)10(2)7-12(17)24-16/h5-7,11-12,14-16,20,22H,8-9H2,1-4H3/b6-5-/t11-,12+,14+,15+,16+,17-,18+,19-/m0/s1
UniChem compound ID
32042252
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA002898
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DPHSCJIDHMQVIC-BPFGYNMTSA-N
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