(Q104965969)

English

(4R,6Z,10Z)-16-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(3S,5E,9E)-14-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-16-hydroxy-3-methyl-4,7,8,12-tetrahydro-3H-2-benzoxacyclotetradecine-1,11-dione

1 reference

based on heuristic

inferred from SMILES

16-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione

1 reference

based on heuristic

inferred from SMILES

mass

448.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₈O₉

0 references

canonical SMILES

O=C1OC(C)CC=CCCC=CC(=O)CC2=CC(OC3OC(CO)C(O)C3O)=CC(O)=C12

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isomeric SMILES

C[C@@H]1C/C=C\CC/C=C\C(=O)Cc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc(O)c2C(=O)O1

0 references

found in taxon

Metacordyceps chlamydosporia

1 reference

stated in

Pochonins A-F, new antiviral and antiparasitic resorcylic acid lactones from Pochonia chlamydosporia var. catenulata

Identifiers

InChI

InChI=1S/C23H28O9/c1-13-7-5-3-2-4-6-8-15(25)9-14-10-16(11-17(26)19(14)22(29)30-13)31-23-21(28)20(27)18(12-24)32-23/h3,5-6,8,10-11,13,18,20-21,23-24,26-28H,2,4,7,9,12H2,1H3/b5-3-,8-6-/t13-,18-,20-,21-,23-/m1/s1

0 references

InChIKey

CNLXHVSPNBJADX-UJLYCQRWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CNLXHVSPNBJADX-UJLYCQRWSA-N

ChEBI ID

214421

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C23H28O9/c1-13-7-5-3-2-4-6-8-15(25)9-14-10-16(11-17(26)19(14)22(29)30-13)31-23-21(28)20(27)18(12-24)32-23/h3,5-6,8,10-11,13,18,20-21,23-24,26-28H,2,4,7,9,12H2,1H3/b5-3-,8-6-/t13-,18-,20-,21-,23-/m1/s1

1 reference

Natural Product Atlas ID

NPA019310

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CNLXHVSPNBJADX-UJLYCQRWSA-N

(Q104965969)

(4R,6Z,10Z)-16-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione

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Identifiers

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