(Q104403259)

English

[(2R,3S,4R)-2-[(3S,4aS,6aS,12R,12aR,12bS)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[2-[12-Hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

532.303618368 dalton

1 reference

1 reference

1 reference

[(2S,3R,4S)-2-[(3R,4aR,6aR,12R,12aS,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₄O₈

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canonical SMILES

O=C1C=C(C(=O)C=2OC3(C)CCC4OC(CCC4(C)C3C(O)C12)C(O)(C)C)C(C)C(OC(=O)C)C(C)CC

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isomeric SMILES

CC[C@@H](C)[C@H](OC(C)=O)[C@H](C)C1=CC(=O)C2=C(O[C@@]3(C)CC[C@@H]4O[C@H](C(C)(C)O)CC[C@@]4(C)[C@@H]3[C@H]2O)C1=O

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found in taxon

Cochliobolus bicolor

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stated in

Phytotoxins Produced by the Plant Pathogenic FungusBipolar is bicolorEl-1

Bipolaris sacchari

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stated in

Inhibitors of diacylglycerol kinase from Drechslera sacchari

Bipolaris sorokiniana

1 reference

stated in

Cochlioquinone A, a nematocidal agent which competes for specific [3H]ivermectin binding sites.

Identifiers

InChI

InChI=1S/C30H44O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,24-25,27,34-35H,9-13H2,1-8H3/t15-,16-,20+,21+,24+,25+,27+,29-,30+/m1/s1

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InChIKey

UWSYUCZPPVXEKW-JSVIAQEJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UWSYUCZPPVXEKW-JSVIAQEJSA-N

1 reference

(Q104403259)

[(2R,3S,4R)-2-[(3S,4aS,6aS,12R,12aR,12bS)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate

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Identifiers

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