(Q105362419)

English

Physagulin B

group of stereoisomers with the chemical formula C₃₀H₃₉ClO₇

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Statements

instance of

group of stereoisomers

0 references

1 reference

546.238431268 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₉ClO₇

0 references

canonical SMILES

O=C1OC(CC(=C1C)C)C(C2=CC(OC(=O)C)C3(O)C4CC(O)C5(Cl)CC=CC(=O)C5(C)C4CCC23C)C

0 references

found in taxon

Physalis angulata

2 references

stated in

Trypanocidal constituents in plants 4. Withanolides from the aerial parts of Physalis angulata

stated in

Cytotoxic withanolides from Physalis angulata L.

Identifiers

InChI

InChI=1S/C30H39ClO7/c1-15-12-22(38-26(35)16(15)2)17(3)20-14-25(37-18(4)32)30(36)21-13-24(34)29(31)10-7-8-23(33)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,34,36H,9-13H2,1-6H3

0 references

InChIKey

YTYRPIHQJLEEEG-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YTYRPIHQJLEEEG-UHFFFAOYSA-N

ChEBI ID

183624

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C30H39ClO7/c1-15-12-22(38-26(35)16(15)2)17(3)20-14-25(37-18(4)32)30(36)21-13-24(34)29(31)10-7-8-23(33)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,34,36H,9-13H2,1-6H3

1 reference

Human Metabolome Database ID

HMDB0041048

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

YTYRPIHQJLEEEG-UHFFFAOYSA-N

(Q105362419)

Physagulin B

Statements

Identifiers

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