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(Q105291600)
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English
Unii-56S6M39J5V
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
helminthosporane sesquiterpenoid
0 references
mass
234.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂O₂
0 references
canonical SMILES
O=CC1=C(C)C2(C)CCC(C(C)C)C1C2C=O
0 references
isomeric SMILES
CC1=C(C=O)[C@@H]2[C@H](C=O)[C@@]1(C)CC[C@@H]2C(C)C
0 references
found in taxon
Bipolaris sorokiniana
1 reference
stated in
HELMINTHOSPORAL, THE TOXIN FROM HELMINTHOSPORIUM SATIVUM: I. ISOLATION AND CHARACTERIZATION
Identifiers
InChI
InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)10(3)12(7-16)14(11)13(15)8-17/h7-9,11,13-14H,5-6H2,1-4H3/t11-,13+,14-,15+/m1/s1
0 references
InChIKey
VQXZGZPEZBQXFZ-BEAPCOKYSA-N
0 references
CAS Registry Number
723-61-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
15559678
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VQXZGZPEZBQXFZ-BEAPCOKYSA-N
UniChem compound ID
53780057
1 reference
stated in
UniChem
UNII
56S6M39J5V
1 reference
matched by identifier from
InChIKey
InChIKey
VQXZGZPEZBQXFZ-BEAPCOKYSA-N
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