(Q105302293)

English

(5E,11E)-18-benzyl-7,14-dihydroxy-7,9,15,16-tetramethyl-2,4-dioxa-19-azatricyclo[11.7.0.01,17]icosa-5,11,15-triene-3,8,20-trione

group of stereoisomers with the chemical formula C₂₈H₃₃NO₇

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Statements

instance of

group of stereoisomers

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subclass of

cytochalasan alkaloid

1 reference

inferred from

cytochalasan alkaloid

1 reference

495.225702396 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₃NO₇

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canonical SMILES

CC1=C(C)C2C(Cc3ccccc3)NC(=O)C23OC(=O)OC=CC(C)(O)C(=O)C(C)CC=CC3C1O

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isomeric SMILES

CC1=C(C)C2C(Cc3ccccc3)NC(=O)C23OC(=O)O/C=C/C(C)(O)C(=O)C(C)C/C=C/C3C1O

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found in taxon

Mycotypha

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stated in

Characterization of Mycotypha metabolites found to be inhibitors of cell adhesion molecules.

Identifiers

InChI

InChI=1S/C28H33NO7/c1-16-9-8-12-20-23(30)18(3)17(2)22-21(15-19-10-6-5-7-11-19)29-25(32)28(20,22)36-26(33)35-14-13-27(4,34)24(16)31/h5-8,10-14,16,20-23,30,34H,9,15H2,1-4H3,(H,29,32)/b12-8+,14-13+

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InChIKey

WDDZJZXADGVZLS-KRQHZRJMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WDDZJZXADGVZLS-KRQHZRJMSA-N

ChEBI ID

200008

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C28H33NO7/c1-16-9-8-12-20-23(30)18(3)17(2)22-21(15-19-10-6-5-7-11-19)29-25(32)28(20,22)36-26(33)35-14-13-27(4,34)24(16)31/h5-8,10-14,16,20-23,30,34H,9,15H2,1-4H3,(H,29,32)/b12-8+,14-13+

1 reference

Natural Product Atlas ID

NPA002854

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WDDZJZXADGVZLS-KRQHZRJMSA-N

(Q105302293)

(5E,11E)-18-benzyl-7,14-dihydroxy-7,9,15,16-tetramethyl-2,4-dioxa-19-azatricyclo[11.7.0.01,17]icosa-5,11,15-triene-3,8,20-trione

Statements

Identifiers

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