(Q104200146)

English

5H,14H-Pyrrolo(1'',2'':4',5')pyrazino(1',2':1,6)pyrido(3,4-b)indole-5,14-dione, 1,2,3,5a,6,11,12,14a-octahydro-5a,6-dihydroxy-9-methoxy-11-(3-methyl-2-butenyl)-12-(2-methyl-1-propenyl)-, (5aR,6S,12S,14aS)-

group of stereoisomers with the chemical formula C₂₇H₃₃N₃O₅

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Statements

instance of

group of stereoisomers

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subclass of

biogenic 2,5-diketopiperazine

1 reference

inferred from

biogenic 2,5-diketopiperazine

mass

479.242021156 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₃N₃O₅

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canonical SMILES

O=C1N2C(C=C(C)C)C3=C(C=4C=CC(OC)=CC4N3CC=C(C)C)C(O)C2(O)C(=O)N5CCCC15

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found in taxon

Penicillium janthinellum

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stated in

Penicillium Toxins

Penicillium ianthinellum

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stated in

Penicillium Toxins

Aspergillus fumigatus

3 references

stated in

Seven new prenylated indole diketopiperazine alkaloids from holothurian-derived fungus Aspergillus fumigatus

stated in

Tremorgenic Mycotoxins from Aspergillus Caespitosus

stated in

Tremorgenic Toxins from <I>Aspergillus fumigatus</I> FRES

Aspergillus caespitosus

2 references

stated in

Tremorgenic Mycotoxins from Aspergillus Caespitosus

stated in

The structure of fumitremorgin B (FTB), a tremorgenic toxin from Aspergillus fumigatus Fres

Identifiers

InChI

InChI=1S/C27H33N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,24,31,34H,6-7,11-12H2,1-5H3

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InChIKey

WEIYXEFMCIRZHC-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

WEIYXEFMCIRZHC-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0030203

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WEIYXEFMCIRZHC-UHFFFAOYSA-N

(Q104200146)

5H,14H-Pyrrolo(1'',2'':4',5')pyrazino(1',2':1,6)pyrido(3,4-b)indole-5,14-dione, 1,2,3,5a,6,11,12,14a-octahydro-5a,6-dihydroxy-9-methoxy-11-(3-methyl-2-butenyl)-12-(2-methyl-1-propenyl)-, (5aR,6S,12S,14aS)-

Statements

Identifiers

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