(Q105284653)

English

2-[(6R,8S)-5-hydroxy-1-methyl-6-(3-methylbutyl)-2,4,11-trioxo-8,9-dihydro-6H-isochromeno[6,7-f][1,3]benzothiazol-8-yl]acetic acid

chemical compound

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instance of

type of chemical entity

0 references

subclass of

alkaloid

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mass

445.119523076 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₃NO₇S

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canonical SMILES

O=C1C=2SC(=O)N(C2C(=O)C=3C=C4C(=C(O)C13)C(OC(CC(=O)O)C4)CCC(C)C)C

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isomeric SMILES

CC(C)CC[C@H]1O[C@H](CC(=O)O)Cc2cc3c(c(O)c21)C(=O)c1sc(=O)n(C)c1C3=O

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found in taxon

Streptomyces prunicolor

1 reference

stated in

Mevashuntin, a novel metabolite produced by inhibition of the mevalonate pathway in Streptomyces prunicolor

Identifiers

InChI

InChI=1S/C22H23NO7S/c1-9(2)4-5-13-15-10(6-11(30-13)8-14(24)25)7-12-16(19(15)27)20(28)21-17(18(12)26)23(3)22(29)31-21/h7,9,11,13,27H,4-6,8H2,1-3H3,(H,24,25)/t11-,13+/m0/s1

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InChIKey

VELDCVOCBUIETA-WCQYABFASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VELDCVOCBUIETA-WCQYABFASA-N

(Q105284653)

2-[(6R,8S)-5-hydroxy-1-methyl-6-(3-methylbutyl)-2,4,11-trioxo-8,9-dihydro-6H-isochromeno[6,7-f][1,3]benzothiazol-8-yl]acetic acid

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Identifiers

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