(Q105137093)

English

(2E,5R,7R,8R,9E,11R,12R,13S,15S,16S,17R,18E,20E,22E)-17-Methoxy-7,13,15-trihydroxy-5-(methoxycarbonylmethyl)-8,12,16,18,22-pentamethyl-11,12-epoxy-23-(2-methyloxazole-4-yl)-2,9,18,20,22-tricosapentaenoic acid 1,15-lactone

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 2-[2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetate

1 reference

based on heuristic

inferred from SMILES

mass

641.356382212 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₆H₅₁NO₉

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canonical SMILES

O=C1OC(CC(O)C2(OC2C=CC(C)C(O)CC(CC=C1)CC(=O)OC)C)C(C)C(OC)C(=CC=CC(=CC=3N=C(OC3)C)C)C

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isomeric SMILES

COC(=O)C[C@@H]1C/C=C/C(=O)O[C@H]([C@H](C)[C@@H](OC)/C(C)=C/C=C/C(C)=C/c2coc(C)n2)C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H](O)C1

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found in taxon

Rhizopus microsporus var. microsporus

1 reference

stated in

Antimitotic rhizoxin derivatives from a cultured bacterial endosymbiont of the rice pathogenic fungus Rhizopus microsporus

Identifiers

InChI

InChI=1S/C36H51NO9/c1-22(17-28-21-44-26(5)37-28)11-9-12-24(3)35(43-8)25(4)30-20-31(39)36(6)32(46-36)16-15-23(2)29(38)18-27(19-34(41)42-7)13-10-14-33(40)45-30/h9-12,14-17,21,23,25,27,29-32,35,38-39H,13,18-20H2,1-8H3/b11-9+,14-10+,16-15+,22-17+,24-12+/t23-,25+,27-,29-,30+,31+,32-,35+,36-/m1/s1

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InChIKey

JYLNHIJYZROVQX-NKNVEYFZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JYLNHIJYZROVQX-NKNVEYFZSA-N

1 reference

0 references

(Q105137093)

(2E,5R,7R,8R,9E,11R,12R,13S,15S,16S,17R,18E,20E,22E)-17-Methoxy-7,13,15-trihydroxy-5-(methoxycarbonylmethyl)-8,12,16,18,22-pentamethyl-11,12-epoxy-23-(2-methyloxazole-4-yl)-2,9,18,20,22-tricosapentaenoic acid 1,15-lactone

Statements

Identifiers

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