(Q105247234)

English

(13S,21R,22S,24S)-8-chloro-3,22,28-trihydroxy-21,24-dimethoxy-7-methyl-6-(propan-2-ylideneamino)-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),7,10,17,20(25),27-octaene-5,26-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

alkaloid

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mass

624.151072808 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₂₉ClN₂O₁₀

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canonical SMILES

O=C1C2=C(O)C=3C4=C(O)C=5C(=O)N(N=C(C)C)C(=C(Cl)C5C=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(cc2c(Cl)c(C)n(N=C(C)C)c(=O)c2c1O)C[C@@H]5OCO4

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found in taxon

Actinoplanes

3 references

stated in

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

stated in

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

stated in

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

Identifiers

InChI

InChI=1S/C31H29ClN2O10/c1-10(2)33-34-11(3)23(32)13-6-12-7-16-19-21(17(12)24(36)18(13)31(34)39)26(38)22-25(37)20-15(40-4)8-14(35)27(41-5)29(20)44-30(22)28(19)43-9-42-16/h6,14-16,27,35-36,38H,7-9H2,1-5H3/t14-,15-,16-,27+/m0/s1

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InChIKey

RXQNODYVXOZZIK-OSLIRNSNSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

RXQNODYVXOZZIK-OSLIRNSNSA-N

ChEBI ID

222110

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C31H29ClN2O10/c1-10(2)33-34-11(3)23(32)13-6-12-7-16-19-21(17(12)24(36)18(13)31(34)39)26(38)22-25(37)20-15(40-4)8-14(35)27(41-5)29(20)44-30(22)28(19)43-9-42-16/h6,14-16,27,35-36,38H,7-9H2,1-5H3/t14-,15-,16-,27+/m0/s1

1 reference

Natural Product Atlas ID

NPA020789

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RXQNODYVXOZZIK-OSLIRNSNSA-N

(Q105247234)

(13S,21R,22S,24S)-8-chloro-3,22,28-trihydroxy-21,24-dimethoxy-7-methyl-6-(propan-2-ylideneamino)-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),7,10,17,20(25),27-octaene-5,26-dione

Statements

Identifiers

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