LIPID MAPS

Structure Database (LMSD)

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Common Name

15beta-methoxy-12beta,25,28-trihydroxyergone

Systematic Name

15β-methoxy-12β,25,28-trihydroxyergosta-4,6,8(14),22-tetraen-3-one

Synonyms

LM ID

LMST01031356

Formula

C₂₉H₄₂O₅

Exact Mass

Calculate m/z

470.303225

Sum Composition

ST 29:5;O5

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

GVDSXMOKMZRMLU-DYVALFNRSA-N

InChi (Click to copy)

InChI=1S/C29H42O5/c1-17(7-8-19(16-30)27(2,3)33)22-14-24(34-6)26-21-10-9-18-13-20(31)11-12-28(18,4)23(21)15-25(32)29(22,26)5/h7-10,13,17,19,22-25,30,32-33H,11-12,14-16H2,1-6H3/b8-7+/t17-,19-,22-,23+,24-,25-,28+,29+/m1/s1

SMILES (Click to copy)

C1CC(=O)C=C2C=CC3=C4[C@H](OC)C[C@]([H])([C@H](C)/C=C/[C@H](CO)C(O)(C)C)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]12C

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Aspergillus terreus (#33178)

Eurotiomycetes (#147545)

Ergone Derivatives from the Deep-Sea-Derived Fungus Aspergillus terreus YPGA10 and 25,28-Dihydroxyergone-Induced Apoptosis in Human Colon Cancer SW620 Cells.,
J Nat Prod, 2024

Pubmed ID: 38856635