(Q104999752)

English

(13S,21S,22S,24S)-3,22,28-trihydroxy-21,24-dimethoxy-7-methyl-6-[(Z)-(3-oxobutan-2-ylidene)amino]-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2(11),3,7,9,17,20(25),27-octaene-5,26-dione

chemical compound

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type of chemical entity

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subclass of

3,22,28-Trihydroxy-21,24-dimethoxy-7-methyl-6-(3-oxobutan-2-ylideneamino)-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2(11),3,7,9,17,20(25),27-octaene-5,26-dione

1 reference

based on heuristic

inferred from SMILES

mass

618.18495978 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(13S,21S,22S,24S)-3,22,28-trihydroxy-21,24-dimethoxy-7-methyl-6-[(E)-3-oxobutan-2-ylideneamino]-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2(11),3,7,9,17,20(25),27-octaene-5,26-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₃₀N₂O₁₁

0 references

canonical SMILES

O=C1C2=C(O)C=3C4=C(O)C=5C(=O)N(N=C(C(=O)C)C)C(=CC5C=C4CC6OCOC(=C2OC7=C1C(OC)CC(O)C7OC)C36)C

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isomeric SMILES

CO[C@H]1C[C@H](O)[C@H](OC)c2oc3c4c5c(c(O)c3c(=O)c21)-c1c(cc2cc(C)n(/N=C(/C)C(C)=O)c(=O)c2c1O)C[C@@H]5OCO4

0 references

found in taxon

Actinoplanes

1 reference

stated in

Actinoplanones C, D, E, F and G, new cytotoxic polycyclic xanthones from Actinoplanes sp

Identifiers

InChI

InChI=1S/C32H30N2O11/c1-11-6-14-7-15-8-18-21-23(19(15)25(37)20(14)32(40)34(11)33-12(2)13(3)35)27(39)24-26(38)22-17(41-4)9-16(36)28(42-5)30(22)45-31(24)29(21)44-10-43-18/h6-7,16-18,28,36-37,39H,8-10H2,1-5H3/b33-12-/t16-,17-,18-,28-/m0/s1

0 references

InChIKey

FQNTXMNYTUIOPY-DZQRXZBQSA-N

0 references

PubChem CID

169492425

1 reference

matched by identifier from

InChIKey

FQNTXMNYTUIOPY-DZQRXZBQSA-N

ChEBI ID

222097

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C32H30N2O11/c1-11-6-14-7-15-8-18-21-23(19(15)25(37)20(14)32(40)34(11)33-12(2)13(3)35)27(39)24-26(38)22-17(41-4)9-16(36)28(42-5)30(22)45-31(24)29(21)44-10-43-18/h6-7,16-18,28,36-37,39H,8-10H2,1-5H3/b33-12-/t16-,17-,18-,28-/m0/s1

Natural Product Atlas ID

NPA020787

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

FQNTXMNYTUIOPY-DZQRXZBQSA-N

(Q104999752)

(13S,21S,22S,24S)-3,22,28-trihydroxy-21,24-dimethoxy-7-methyl-6-[(Z)-(3-oxobutan-2-ylidene)amino]-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2(11),3,7,9,17,20(25),27-octaene-5,26-dione

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