(Q110170225)

English

5,4-[Imino[(22E,24R)-3beta-hydroxy-5alpha-ergosta-7,9(11),22-triene-5,6alpha-diyl]oxy]-1,8,8,9alpha-tetramethyl-3,7-dihydroxy-8,9-dihydro-6H-phenaleno[1,2-b]furan-6-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

733.434238608 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₇H₅₉NO₆

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canonical SMILES

O=C1C=2NC34CC(O)CCC4(C5=CCC6(C)C(C5=CC3OC2C=7C(O)=CC(=C8C=9OC(C)C(C9C(O)=C1C78)(C)C)C)CCC6C(C=CC(C)C(C)C)C)C

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isomeric SMILES

Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@@H](C)C4(C)C)C(=O)C1=C2O[C@H]2C=C3C(=CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@H](O)C[C@]23N1

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found in taxon

Coniothyrium cerealis

1 reference

stated in

Unusual Nitrogenous Phenalenone Derivatives from the Marine-Derived Fungus Coniothyrium cereale.

Neosetophoma cerealis

1 reference

stated in

Unusual Nitrogenous Phenalenone Derivatives from the Marine-Derived Fungus Coniothyrium cereale.

Coniothyrium cereale

1 reference

stated in

Unusual Nitrogenous Phenalenone Derivatives from the Marine-Derived Fungus Coniothyrium cereale.

Identifiers

InChI

InChI=1S/C47H59NO6/c1-22(2)23(3)11-12-24(4)29-13-14-30-28-20-33-47(21-27(49)15-18-46(47,10)31(28)16-17-45(29,30)9)48-39-41(52)37-36-34(25(5)19-32(50)35(36)43(39)54-33)42-38(40(37)51)44(7,8)26(6)53-42/h11-12,16,19-20,22-24,26-27,29-30,33,48-51H,13-15,17-18,21H2,1-10H3/b12-11+/t23-,24+,26-,27-,29+,30-,33-,45+,46+,47-/m0/s1

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InChIKey

RBONDXITUZWYKS-HWUJHYJKSA-N

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1 reference

15 September 2022

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C47H59NO6/c1-22(2)23(3)11-12-24(4)29-13-14-30-28-20-33-47(21-27(49)15-18-46(47,10)31(28)16-17-45(29,30)9)48-39-41(52)37-36-34(25(5)19-32(50)35(36)43(39)54-33)42-38(40(37)51)44(7,8)26(6)53-42/h11-12,16,19-20,22-24,26-27,29-30,33,48-51H,13-15,17-18,21H2,1-10H3/b12-11+/t23-,24+,26-,27-,29+,30-,33-,45+,46+,47-/m0/s1

1 reference

Natural Product Atlas ID

NPA030247

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RBONDXITUZWYKS-HWUJHYJKSA-N

(Q110170225)

5,4-[Imino[(22E,24R)-3beta-hydroxy-5alpha-ergosta-7,9(11),22-triene-5,6alpha-diyl]oxy]-1,8,8,9alpha-tetramethyl-3,7-dihydroxy-8,9-dihydro-6H-phenaleno[1,2-b]furan-6-one

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