(Q105257562)

English

1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic xanthone

0 references

mass

454.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₀O₇

0 references

canonical SMILES

O=C1C=2C(O)=C(C(OC)=CC2OC=3C=C(OC)C(OC)=C(C=CC(O)(C)C)C13)CC=C(C)C

0 references

isomeric SMILES

COc1cc2oc3cc(OC)c(OC)c(/C=C/C(C)(C)O)c3c(=O)c2c(O)c1CC=C(C)C

1 reference

2 references

Xanthones from the heartwood of Garcinia mangostana

stated in

Xanthones from the heartwood of Garcinia mangostana

Identifiers

InChI

InChI=1S/C26H30O7/c1-14(2)8-9-15-17(30-5)12-19-22(23(15)27)24(28)21-16(10-11-26(3,4)29)25(32-7)20(31-6)13-18(21)33-19/h8,10-13,27,29H,9H2,1-7H3/b11-10+

0 references

InChIKey

SPRXFHBMQQEVDG-ZHACJKMWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SPRXFHBMQQEVDG-ZHACJKMWSA-N

ChEBI ID

175622

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C26H30O7/c1-14(2)8-9-15-17(30-5)12-19-22(23(15)27)24(28)21-16(10-11-26(3,4)29)25(32-7)20(31-6)13-18(21)33-19/h8,10-13,27,29H,9H2,1-7H3/b11-10+

1 reference

Human Metabolome Database ID

HMDB0039918

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

SPRXFHBMQQEVDG-ZHACJKMWSA-N

KNApSAcK ID

C00036325

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

SPRXFHBMQQEVDG-ZHACJKMWSA-N

(Q105257562)

1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone

Statements

Identifiers

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