Strobilactone b
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Formula: C15H22O5
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Molecular weight: 282.33
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Smiles: CC1(CC(CC2(C1C(C=C3C2(C(=O)OC3)O)O)C)O)C
Strobilactone b
Names
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Mycotoxin name: Strobilactone b
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First synonym: Strobilactone b
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Synonyms: strobilactone B,MEGxm0_000355,CHEMBL1080960,ACon0_000545,ACon1_000032,ZINC31161457,NCGC00168858-01,NCGC00168858-02,BRD-K56210867-001-01-3
Identifiers / External links
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CAS: 1022798-30-6,001-01-3
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PubChem CID: 23928031
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ChEMBL: CHEMBL1080960
Structure
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Smiles: CC1(CC(CC2(C1C(C=C3C2(C(=O)OC3)O)O)C)O)C
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Isomeric smiles: C[C@]12C[C@H](CC([C@@H]1[C@@H](C=C3[C@@]2(C(=O)OC3)O)O)(C)C)O
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Inchi: InChI=1S/C15H22O5/c1-13(2)5-9(16)6-14(3)11(13)10(17)4-8-7-20-12(18)15(8,14)19/h4,9-11,16-17,19H,5-7H2,1-3H3/t9-,10+,11-,14-,15-/m0/s1
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Inchikey: VCSXCHXOFPVNGS-TVMMDAIPSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H22O5
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Molecular weight: 282.33
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Monoisotopic mass: 282.1467238
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Fungi
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Fungi id Species 279 Aspergillus ustus