(Q105306187)

English

Opened gamma-lactone ring of libertellenone M

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

7-ethenyl-4b,10-dihydroxy-1,4a,7-trimethyl-9-oxo-5,6-dihydro-2H-phenanthrene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

344.162373868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₄O₅

0 references

canonical SMILES

O=C(O)C1(C2=C(O)C(=O)C3=CC(C=C)(C)CCC3(O)C2(C=CC1)C)C

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isomeric SMILES

C=C[C@]1(C)C=C2C(=O)C(O)=C3[C@](C)(C=CC[C@@]3(C)C(=O)O)[C@@]2(O)CC1

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found in taxon

Stilbella fimetaria

1 reference

stated in

A Dereplication and Bioguided Discovery Approach to Reveal New Compounds from a Marine-Derived Fungus Stilbella fimetaria.

Identifiers

InChI

InChI=1S/C20H24O5/c1-5-17(2)9-10-20(25)12(11-17)13(21)14(22)15-18(3,16(23)24)7-6-8-19(15,20)4/h5-6,8,11,22,25H,1,7,9-10H2,2-4H3,(H,23,24)/t17-,18+,19-,20+/m0/s1

0 references

InChIKey

WIEULLALQDWNTC-ZGXWSNOMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WIEULLALQDWNTC-ZGXWSNOMSA-N

ChEBI ID

212855

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H24O5/c1-5-17(2)9-10-20(25)12(11-17)13(21)14(22)15-18(3,16(23)24)7-6-8-19(15,20)4/h5-6,8,11,22,25H,1,7,9-10H2,2-4H3,(H,23,24)/t17-,18+,19-,20+/m0/s1

1 reference

Natural Product Atlas ID

NPA023226

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WIEULLALQDWNTC-ZGXWSNOMSA-N

(Q105306187)

Opened gamma-lactone ring of libertellenone M

Statements

Identifiers

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