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Oryzalexin S
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
villanovane diterpenoid
0 references
mass
304.240230264
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₂O₂
0 references
canonical SMILES
OCC1(C)CC(O)CC2(C)C1CCC3C=C(C)C4CCC32C4
0 references
isomeric SMILES
[C@@H]1(C[C@]([C@H]2[C@](C1)([C@@]13[C@@H](CC2)C=C([C@@H](C1)CC3)C)C)(C)CO)O
0 references
found in taxon
Laurencia
1 reference
stated in
Oryzalexin S structure: a new stemarane-type rice plant phytoalexin and its biogenesis.
Oryza sativa
1 reference
stated in
Oryzalexin S, a Novel Stemarane-type Diterpene Rice Phytoalexin
Identifiers
InChI
InChI=1S/C20H32O2/c1-13-8-15-4-5-17-18(2,12-21)10-16(22)11-19(17,3)20(15)7-6-14(13)9-20/h8,14-17,21-22H,4-7,9-12H2,1-3H3/t14-,15+,16+,17+,18-,19+,20-/m1/s1
0 references
InChIKey
OXKYBEZXRLIPKC-OSIAAWHGSA-N
0 references
CAS Registry Number
143437-61-0
1 reference
InChIKey
OXKYBEZXRLIPKC-OSIAAWHGSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=143437-61-0
PubChem CID
101628275
1 reference
matched by identifier from
InChIKey
InChIKey
OXKYBEZXRLIPKC-OSIAAWHGSA-N
ChEBI ID
170109
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H32O2/c1-13-8-15-4-5-17-18(2,12-21)10-16(22)11-19(17,3)20(15)7-6-14(13)9-20/h8,14-17,21-22H,4-7,9-12H2,1-3H3/t14-,15+,16+,17+,18-,19+,20-/m1/s1
UniChem compound ID
96650089
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID001100118
1 reference
matched by identifier from
InChIKey
InChIKey
OXKYBEZXRLIPKC-OSIAAWHGSA-N
Human Metabolome Database ID
HMDB0039687
0 references
KNApSAcK ID
C00000889
0 references
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