(Q105168393)

English

[(1R,4S,5R,12R,15R,16R)-16-acetyloxy-1,12-bis(methylsulfanyl)-2,13-dioxo-8,19-dioxa-3,14-diazapentacyclo[12.8.0.03,12.04,10.015,21]docosa-6,9,17,20-tetraen-5-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Bisdethiodi(methylthio)acetylaranotin

1 reference

based on heuristic

inferred from SMILES

mass

534.113057792 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Didethiodi(methylthio)acetylaranotin

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₂₆N₂O₈S₂

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canonical SMILES

O=C(OC1C=COC=C2CC3(SC)C(=O)N4C5C(=COC=CC5OC(=O)C)CC4(SC)C(=O)N3C21)C

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isomeric SMILES

CS[C@@]12CC3=COC=C[C@@H](OC(C)=O)[C@H]3N1C(=O)[C@]1(SC)CC3=COC=C[C@@H](OC(C)=O)[C@@H]3N1C2=O

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found in taxon

Aspergillus terreus

1 reference

stated in

Isolation of Acetylaranotin, Bisdethiodi(methylthio)-acetylaranotin and Terrein as Plant Growth Inhibitors from a Strain ofAspergillus terreus

Identifiers

InChI

InChI=1S/C24H26N2O8S2/c1-13(27)33-17-5-7-31-11-15-9-23(35-3)22(30)26-20-16(12-32-8-6-18(20)34-14(2)28)10-24(26,36-4)21(29)25(23)19(15)17/h5-8,11-12,17-20H,9-10H2,1-4H3/t17-,18-,19-,20+,23-,24-/m1/s1

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InChIKey

MNIWVYZRLOFLBX-PYKARKRHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MNIWVYZRLOFLBX-PYKARKRHSA-N

(Q105168393)

[(1R,4S,5R,12R,15R,16R)-16-acetyloxy-1,12-bis(methylsulfanyl)-2,13-dioxo-8,19-dioxa-3,14-diazapentacyclo[12.8.0.03,12.04,10.015,21]docosa-6,9,17,20-tetraen-5-yl] acetate

Statements

Identifiers

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