(Q105265688)

English

(12S)-6,15-dihydroxy-8,12,13,13-tetramethyl-3,11-dioxatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁴]hexadeca-1(16),5,7,9,14-pentaene-2,4-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

AGN-PC-0LSSPF

1 reference

based on heuristic

inferred from InChIKey

mass

328.094688232 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(12R)-6,15-dihydroxy-8,12,13,13-tetramethyl-3,11-dioxatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁴]hexadeca-1(16),5,7,9,14-pentaene-2,4-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₁₆O₆

0 references

canonical SMILES

O=C1OC(=O)C2=C(O)C3=C(OC(C)C3(C)C)C4=C2C1=C(O)C=C4C

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isomeric SMILES

Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@@H](C)C4(C)C)C(=O)OC2=O

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found in taxon

Coniothyrium cereale

1 reference

stated in

Antimicrobial phenalenone derivatives from the marine-derived fungus Coniothyrium cereale

Coniothyrium cerealis

1 reference

stated in

Antimicrobial phenalenone derivatives from the marine-derived fungus Coniothyrium cereale

Neosetophoma cerealis

1 reference

stated in

Antimicrobial phenalenone derivatives from the marine-derived fungus Coniothyrium cereale

Scleroderris canker

1 reference

stated in

Metabolites produced by the Scleroderris canker fungus, Gremmeniellaabietina. Part 1

Massarina bipolaris

1 reference

stated in

Metabolites produced by the Scleroderris canker fungus, Gremmeniellaabietina. Part 1

Identifiers

InChI

InChI=1S/C18H16O6/c1-6-5-8(19)10-11-9(6)15-13(18(3,4)7(2)23-15)14(20)12(11)17(22)24-16(10)21/h5,7,19-20H,1-4H3/t7-/m0/s1

0 references

InChIKey

TWBCJAQLHHKHDU-ZETCQYMHSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

198898

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C18H16O6/c1-6-5-8(19)10-11-9(6)15-13(18(3,4)7(2)23-15)14(20)12(11)17(22)24-16(10)21/h5,7,19-20H,1-4H3/t7-/m0/s1

Natural Product Atlas ID

NPA001558

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

TWBCJAQLHHKHDU-ZETCQYMHSA-N

(Q105265688)

(12S)-6,15-dihydroxy-8,12,13,13-tetramethyl-3,11-dioxatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁴]hexadeca-1(16),5,7,9,14-pentaene-2,4-dione

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