LIPID MAPS

Structure Database (LMSD)

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Common Name

Hericene B

Systematic Name

(4-(3,7-Dimethylocta-2,6-dien-1-yl)-2-formyl-3-hydroxy-5-methoxyphenyl)methyl (9Z)-octadec-9-enoic acid

Synonyms

(4-(3,7-Dimethylocta-2,6-dien-1-yl)-2-formyl-3-hydroxy-5-methoxyphenyl)methyl oleoyate
Hericene D

LM ID

LMPK15030081

Formula

C₃₇H₅₈O₅

Exact Mass

Calculate m/z

582.428426

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Hericium erinaceus (#91752)

Agaricomycetes (#155619)

Secondary Mold Metabolites: Part 46. Hericenes A-C and Erinapyrone C, New Metabolites Produced by the Fungus Hericium erinaceus,
J Nat Prod, 1994

DOI: 10.1021/np50107a006

String Representations

InChiKey (Click to copy)

UJSYMVCGDZCLIO-LTBKHPPLSA-N

InChi (Click to copy)

InChI=1S/C37H58O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h13-14,22,25,27-28,40H,6-12,15-21,23-24,26,29H2,1-5H3/b14-13-,31-25+

SMILES (Click to copy)

C1(O)C(C/C=C(\C)/CC/C=C(\C)/C)=C(OC)C=C(COC(CCCCCCC/C=C\CCCCCCCC)=O)C=1C=O

Other Databases

CHEBI ID

172758

PubChem CID

101670645

Calculated Physicochemical Properties

Heavy Atoms 42

Rings 1

Aromatic Rings 1

Rotatable Bonds 25

Van der Waals Molecular Volume 648.23

Topological Polar Surface Area 72.83

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 5

logP 10.53

Molar Refractivity 175.42

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Created at

26th Jun 2026

Updated at