(Q105141777)

English

(4S,8Z,11S,12E)-11-hydroxy-4,8,12-trimethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

11-Hydroxy-4,8,12-trimethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-3-one

1 reference

based on heuristic

inferred from SMILES

mass

349.207550232 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₁NO₂S

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canonical SMILES

O=C(CC)C(C)CCCC(=CCC(O)C(=CC=1N=C(SC1)C)C)C

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isomeric SMILES

CCC(=O)[C@@H](C)CCC/C(C)=C\C[C@H](O)/C(C)=C/c1csc(C)n1

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found in taxon

Sorangium cellulosum

2 references

stated in

New natural epothilones from Sorangium cellulosum, strains So ce90/B2 and So ce90/D13: isolation, structure elucidation, and SAR studies

stated in

New natural epothilones from Sorangium cellulosum, strains So ce90/B2 and So ce90/D13: isolation, structure elucidation, and SAR studies

Identifiers

InChI

InChI=1S/C20H31NO2S/c1-6-19(22)15(3)9-7-8-14(2)10-11-20(23)16(4)12-18-13-24-17(5)21-18/h10,12-13,15,20,23H,6-9,11H2,1-5H3/b14-10-,16-12+/t15-,20-/m0/s1

0 references

InChIKey

KJCICXVOGJMFPE-SCKJGMHESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KJCICXVOGJMFPE-SCKJGMHESA-N

ChEBI ID

219398

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H31NO2S/c1-6-19(22)15(3)9-7-8-14(2)10-11-20(23)16(4)12-18-13-24-17(5)21-18/h10,12-13,15,20,23H,6-9,11H2,1-5H3/b14-10-,16-12+/t15-,20-/m0/s1

1 reference

Natural Product Atlas ID

NPA015857

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KJCICXVOGJMFPE-SCKJGMHESA-N

(Q105141777)

(4S,8Z,11S,12E)-11-hydroxy-4,8,12-trimethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-3-one

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Identifiers

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