(Q104947032)

English

Allocyathin A4

group of stereoisomers with the chemical formula C₂₀H₂₈O₄

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Statements

instance of

group of stereoisomers

0 references

1 reference

332.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₄

0 references

canonical SMILES

OCC1=CC2(O)OC1CC3C4=C(C=CC4(C)CCC32C)C(C)CO

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isomeric SMILES

CC(CO)C1=C2[C@H]3C[C@H]4OC(O)(C=C4CO)[C@]3(C)CC[C@@]2(C)C=C1

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found in taxon

Cyathus helenae

1 reference

stated in

Cyathin, a new antibiotic complex produced by Cyathus helenae

Identifiers

InChI

InChI=1S/C20H28O4/c1-12(10-21)14-4-5-18(2)6-7-19(3)15(17(14)18)8-16-13(11-22)9-20(19,23)24-16/h4-5,9,12,15-16,21-23H,6-8,10-11H2,1-3H3/t12?,15-,16-,18-,19-,20?/m1/s1

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InChIKey

BVZWEPLMRFYTFZ-JAVSHELASA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

BVZWEPLMRFYTFZ-JAVSHELASA-N

ChEBI ID

197623

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H28O4/c1-12(10-21)14-4-5-18(2)6-7-19(3)15(17(14)18)8-16-13(11-22)9-20(19,23)24-16/h4-5,9,12,15-16,21-23H,6-8,10-11H2,1-3H3/t12?,15-,16-,18-,19-,20?/m1/s1

Natural Product Atlas ID

NPA000101

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BVZWEPLMRFYTFZ-JAVSHELASA-N

(Q104947032)

Allocyathin A4

Statements

Identifiers

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