(Q105214280)

English

10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-3-(2-methylpropyl)-16-[1-(3-phenyloxiran-2-yl)ethyl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

group of stereoisomers with the chemical formula C₃₅H₄₃ClN₂O₈

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instance of

group of stereoisomers

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subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

654.2707940160002 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₃ClN₂O₈

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canonical SMILES

COc1ccc(CC2NC(=O)C=CCC(C(C)C3OC3c3ccccc3)OC(=O)C(CC(C)C)OC(=O)C(C)CNC2=O)cc1Cl

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Identifiers

InChI

InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)

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InChIKey

PSNOPSMXOBPNNV-UHFFFAOYSA-N

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PubChem CID

381235

1 reference

based on heuristic

inferred from InChIKey

1 reference

Human Metabolome Database ID

HMDB0242628

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PSNOPSMXOBPNNV-UHFFFAOYSA-N

(Q105214280)

10-[(3-chloro-4-methoxyphenyl)methyl]-9,12-dihydroxy-6-methyl-3-(2-methylpropyl)-16-[1-(3-phenyloxiran-2-yl)ethyl]-1,4-dioxa-8,11-diazacyclohexadeca-8,11,13-triene-2,5-dione

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