(Q115947163)

English

(5-Acetyloxy-9,18-dihydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-6-yl)methyl acetate

group of stereoisomers with the chemical formula C₂₉H₃₅NO₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

541.2311817 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₅NO₉

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canonical SMILES

O=C1OC(=CC=2OC3(C)C(O)CC4C(C)(COC(=O)C)C(OC(=O)C)CCC4(C)C3C(O)C12)C=5C=NC=CC5

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found in taxon

Aspergillus fumigatus

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stated in

Secondary metabolite profiles and antifungal drug susceptibility of Aspergillus fumigatus and closely related species, Aspergillus lentulus, Aspergillus udagawae, and Aspergillus viridinutans

Identifiers

InChI

InChI=1S/C29H35NO9/c1-15(31)36-14-28(4)20-12-21(33)29(5)25(27(20,3)9-8-22(28)37-16(2)32)24(34)23-19(39-29)11-18(38-26(23)35)17-7-6-10-30-13-17/h6-7,10-11,13,20-22,24-25,33-34H,8-9,12,14H2,1-5H3

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InChIKey

LGGJSHGJCMYMKU-UHFFFAOYSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

LGGJSHGJCMYMKU-UHFFFAOYSA-N

ChEBI ID

181527

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C29H35NO9/c1-15(31)36-14-28(4)20-12-21(33)29(5)25(27(20,3)9-8-22(28)37-16(2)32)24(34)23-19(39-29)11-18(38-26(23)35)17-7-6-10-30-13-17/h6-7,10-11,13,20-22,24-25,33-34H,8-9,12,14H2,1-5H3

(Q115947163)

(5-Acetyloxy-9,18-dihydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-6-yl)methyl acetate

Statements

Identifiers

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