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Aspochalasin J
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
NCGC00347526-02_C24H35NO4_(3E,9E)-5-Hydroxy-14-isobutyl-9,12,13-trimethyl-6,7,8,10a,13,13a,14,15-octahydro-2H-oxacyclododecino[2,3-d]isoindole-2,16(5H)-dione
1 reference
based on heuristic
inferred from SMILES
mass
401.2566086
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Amiaspochalasin E
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₃₅NO₄
0 references
canonical SMILES
CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CC(O)CCC1
0 references
isomeric SMILES
C[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C(/CCC[C@@H](/C=C/C(=O)O3)O)\C)C=C1C)CC(C)C
0 references
found in taxon
Aspergillus flavipes
1 reference
stated in
Aspochalasins I, J, and K: three new cytotoxic cytochalasans of Aspergillus flavipes from the rhizosphere of Ericameria laricifolia of the Sonoran Desert
Ericameria laricifolia
1 reference
stated in
Aspochalasins I, J, and K: three new cytotoxic cytochalasans of Aspergillus flavipes from the rhizosphere of Ericameria laricifolia of the Sonoran Desert
Identifiers
InChI
InChI=1S/C24H35NO4/c1-14(2)11-20-22-17(5)16(4)13-18-12-15(3)7-6-8-19(26)9-10-21(27)29-24(18,22)23(28)25-20/h9-10,12-14,17-20,22,26H,6-8,11H2,1-5H3,(H,25,28)/b10-9+,15-12+/t17-,18+,19+,20+,22+,24-/m1/s1
0 references
InChIKey
HXVGXVHKKDWYHZ-CEEOZWHRSA-N
2 references
stated in
PubChem
PubChem CID
21576439
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
21576439
language of work or name
English
PubChem CID
21576439
2 references
stated in
PubChem
PubChem CID
21576439
language of work or name
English
matched by identifier from
InChIKey
InChIKey
HXVGXVHKKDWYHZ-CEEOZWHRSA-N
ChEBI ID
200340
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H35NO4/c1-14(2)11-20-22-17(5)16(4)13-18-12-15(3)7-6-8-19(26)9-10-21(27)29-24(18,22)23(28)25-20/h9-10,12-14,17-20,22,26H,6-8,11H2,1-5H3,(H,25,28)/b10-9+,15-12+/t17-,18+,19+,20+,22+,24-/m1/s1
UniChem compound ID
611550
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA003238
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HXVGXVHKKDWYHZ-CEEOZWHRSA-N
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