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(Q105150563)
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English
Stachatranone C
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
9,10-dihydroxy-4-isopropyl-7,11,13a-trimethyl-4aH,5H,6H,9H,10H,13H-cycloundeca[b]pyran-2-one
1 reference
based on heuristic
inferred from SMILES
mass
334.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₀O₄
0 references
canonical SMILES
O=C1OC2(C)CC=C(C)C(O)C(O)C=C(C)CCC2C(=C1)C(C)C
0 references
isomeric SMILES
C/C1=C\[C@H](O)[C@H](O)/C(C)=C/C[C@@]2(C)OC(=O)C=C(C(C)C)[C@@H]2CC1
0 references
found in taxon
Stachybotrys chartarum
1 reference
stated in
Antimicrobial Dolabellanes and Atranones from a Marine-Derived Strain of the Toxigenic Fungus Stachybotrys chartarum
Identifiers
InChI
InChI=1S/C20H30O4/c1-12(2)15-11-18(22)24-20(5)9-8-14(4)19(23)17(21)10-13(3)6-7-16(15)20/h8,10-12,16-17,19,21,23H,6-7,9H2,1-5H3/b13-10+,14-8+/t16-,17-,19+,20+/m0/s1
0 references
InChIKey
LEHBPHLHJODCFQ-IQZQZOBXSA-N
0 references
PubChem CID
145721049
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LEHBPHLHJODCFQ-IQZQZOBXSA-N
ChEBI ID
224448
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H30O4/c1-12(2)15-11-18(22)24-20(5)9-8-14(4)19(23)17(21)10-13(3)6-7-16(15)20/h8,10-12,16-17,19,21,23H,6-7,9H2,1-5H3/b13-10+,14-8+/t16-,17-,19+,20+/m0/s1
UniChem compound ID
176967128
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA025281
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LEHBPHLHJODCFQ-IQZQZOBXSA-N
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