(Q104922537)

English

6-Hydroxy-2-(3,4,10-trihydroxy-1,5-undecadienyl)-3-(2,3-dihydroxy-3-methylbutyl)benzaldehyde

group of stereoisomers with the chemical formula C₂₃H₃₄O₇

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Statements

instance of

group of stereoisomers

0 references

1 reference

422.230453428 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₄O₇

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canonical SMILES

O=CC=1C(O)=CC=C(C1C=CC(O)C(O)C=CCCCC(O)C)CC(O)C(O)(C)C

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isomeric SMILES

CC(O)CCC/C=C/C(O)C(O)/C=C/c1c(CC(O)C(C)(C)O)ccc(O)c1C=O

1 reference

based on heuristic

inferred from InChI

found in taxon

Menisporopsis theobromae

1 reference

stated in

Bioactive compounds from the seed fungus Menisporopsis theobromae BCC 3975.

Identifiers

InChI

InChI=1S/C23H34O7/c1-15(25)7-5-4-6-8-20(27)21(28)12-10-17-16(13-22(29)23(2,3)30)9-11-19(26)18(17)14-24/h6,8-12,14-15,20-22,25-30H,4-5,7,13H2,1-3H3/b8-6+,12-10+

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InChIKey

BAXXMNBFCLQTAK-VTKKNFPDSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BAXXMNBFCLQTAK-VTKKNFPDSA-N

ChEBI ID

204631

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C23H34O7/c1-15(25)7-5-4-6-8-20(27)21(28)12-10-17-16(13-22(29)23(2,3)30)9-11-19(26)18(17)14-24/h6,8-12,14-15,20-22,25-30H,4-5,7,13H2,1-3H3/b8-6+,12-10+

1 reference

Natural Product Atlas ID

NPA007770

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BAXXMNBFCLQTAK-VTKKNFPDSA-N

(Q104922537)

6-Hydroxy-2-(3,4,10-trihydroxy-1,5-undecadienyl)-3-(2,3-dihydroxy-3-methylbutyl)benzaldehyde

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