(Q82996175)

English

10,10a-Dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methylprop-1-en-1-yl)-11,15-dioxo-1,2,10,10a,11,13,14,14a,15,15b-decahydro-5H,12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indeno[5,6-b]fluoren-13-yl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

biogenic 2,5-diketopiperazine

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mass

569.2373297 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₅N₃O₉

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canonical SMILES

O=C(OC1CN2C(=O)C3(O)N(C(=O)C2C1)C4C5=C(C=6C=CC(OC)=CC6N5C(OOC(C)(C)C4)C=C(C)C)C3O)C

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found in taxon

Aspergillus fumigatus

1 reference

stated in

Metabolomics ofAspergillus fumigatus

Identifiers

InChI

InChI=1S/C29H35N3O9/c1-14(2)9-22-31-19-10-16(38-6)7-8-18(19)23-24(31)21(12-28(4,5)41-40-22)32-26(35)20-11-17(39-15(3)33)13-30(20)27(36)29(32,37)25(23)34/h7-10,17,20-22,25,34,37H,11-13H2,1-6H3

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InChIKey

SVIHNQHJZUQMBA-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

SVIHNQHJZUQMBA-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

SVIHNQHJZUQMBA-UHFFFAOYSA-N

DSSTOX compound identifier

0 references

2 references

inferred from InChIKey

matched by identifier from

InChIKey

SVIHNQHJZUQMBA-UHFFFAOYSA-N

(Q82996175)

10,10a-Dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methylprop-1-en-1-yl)-11,15-dioxo-1,2,10,10a,11,13,14,14a,15,15b-decahydro-5H,12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indeno[5,6-b]fluoren-13-yl acetate

Statements

Identifiers

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