(Q115971325)

English

(2E,4S,6E,10E)-12-[(1R,2R,6R)-2-acetyloxy-3,4-dimethoxy-6-methyl-5-oxocyclohex-3-en-1-yl]-4-hydroxy-2,6,10-trimethyldodeca-2,6,10-trienoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

12-[2-(acetyloxy)-3,4-dimethoxy-6-methyl-5-oxocyclohex-3-en-1-yl]-4-hydroxy-2,6,10-trimethyldodeca-2,6,10-trienoic acid

1 reference

based on heuristic

inferred from SMILES

mass

478.256668176 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₈O₈

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canonical SMILES

O=C(O)C(=CC(O)CC(=CCCC(=CCC1C(OC(=O)C)C(OC)=C(OC)C(=O)C1C)C)C)C

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isomeric SMILES

COC1=C(OC)[C@H](OC(C)=O)[C@H](C/C=C(\C)CC/C=C(\C)C[C@H](O)/C=C(\C)C(=O)O)[C@@H](C)C1=O

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found in taxon

Taiwanofungus camphoratus

1 reference

stated in

Meroterpenoids from a Medicinal Fungus Antrodia cinnamomea.

Antrodia cinnamomea

1 reference

stated in

Meroterpenoids from a Medicinal Fungus Antrodia cinnamomea.

Identifiers

InChI

InChI=1S/C26H38O8/c1-15(9-8-10-16(2)13-20(28)14-17(3)26(30)31)11-12-21-18(4)22(29)24(32-6)25(33-7)23(21)34-19(5)27/h10-11,14,18,20-21,23,28H,8-9,12-13H2,1-7H3,(H,30,31)/b15-11+,16-10+,17-14+/t18-,20+,21-,23-/m1/s1

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InChIKey

NWDZWEAPEOCWDK-HRMUPVLVSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

NWDZWEAPEOCWDK-HRMUPVLVSA-N

1 reference

(Q115971325)

(2E,4S,6E,10E)-12-[(1R,2R,6R)-2-acetyloxy-3,4-dimethoxy-6-methyl-5-oxocyclohex-3-en-1-yl]-4-hydroxy-2,6,10-trimethyldodeca-2,6,10-trienoic acid

Statements

Identifiers

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