(Q105115611)

English

(1S,2S,5R,12R)-5-ethenyl-2-hydroxy-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-6,9(16),14-triene-8,11-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-ethenyl-2-hydroxy-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-6,9(16),14-triene-8,11-dione

1 reference

based on heuristic

inferred from SMILES

mass

326.151809184 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₂O₄

0 references

canonical SMILES

O=C1OC=2C(=O)C3=CC(C=C)(C)CCC3(O)C4(C=CCC1(C24)C)C

0 references

isomeric SMILES

C=C[C@]1(C)C=C2C(=O)C3=C4[C@](C)(C=CC[C@@]4(C)C(=O)O3)[C@@]2(O)CC1

0 references

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/C20H22O4/c1-5-17(2)9-10-20(23)12(11-17)13(21)14-15-18(3,16(22)24-14)7-6-8-19(15,20)4/h5-6,8,11,23H,1,7,9-10H2,2-4H3/t17-,18+,19-,20+/m0/s1

0 references

InChIKey

IMDSZABVDRYLLE-ZGXWSNOMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IMDSZABVDRYLLE-ZGXWSNOMSA-N

ChEBI ID

212837

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H22O4/c1-5-17(2)9-10-20(23)12(11-17)13(21)14-15-18(3,16(22)24-14)7-6-8-19(15,20)4/h5-6,8,11,23H,1,7,9-10H2,2-4H3/t17-,18+,19-,20+/m0/s1

1 reference

Natural Product Atlas ID

NPA023223

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IMDSZABVDRYLLE-ZGXWSNOMSA-N

(Q105115611)

(1S,2S,5R,12R)-5-ethenyl-2-hydroxy-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-6,9(16),14-triene-8,11-dione

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