(Q77515947)

English

Xylarinol B

bioactive natural product

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Statements

instance of

type of chemical entity

0 references

subclass of

3-(1-hydroxyethyl)-1,3,4,5-tetrahydro-2-benzoxepine-5,9-diol

1 reference

based on heuristic

inferred from SMILES

mass

224.104858992 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₂H₁₆O₄

0 references

canonical SMILES

OC1=CC=CC2=C1COC(CC2O)C(O)C

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isomeric SMILES

CC(O)[C@@H]1C[C@H](O)c2cccc(O)c2CO1

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found in taxon

Xylaria polymorpha

1 reference

stated in

Xylarinols A and B, two new 2-benzoxepin derivatives from the fruiting bodies of Xylaria polymorpha

Identifiers

InChI

InChI=1S/C12H16O4/c1-7(13)12-5-11(15)8-3-2-4-10(14)9(8)6-16-12/h2-4,7,11-15H,5-6H2,1H3/t7?,11-,12-/m0/s1

0 references

InChIKey

VWZHVDDMUSWGIT-JCADVYKZSA-N

2 references

language of work or name

English

stated in

Natural Product Atlas

PubChem CID

42603802

language of work or name

2 references

language of work or name

English

matched by identifier from

InChIKey

VWZHVDDMUSWGIT-JCADVYKZSA-N

ChEBI ID

207187

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C12H16O4/c1-7(13)12-5-11(15)8-3-2-4-10(14)9(8)6-16-12/h2-4,7,11-15H,5-6H2,1H3/t7?,11-,12-/m0/s1

1 reference

Natural Product Atlas ID

NPA013553

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VWZHVDDMUSWGIT-JCADVYKZSA-N

(Q77515947)

Xylarinol B

Statements

Identifiers

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