input word = C00039370

Metabolite InformationStructural formula
Name Hercinolactone
Formula C15H20O2
Mw 232.14632988
CAS RN 172723-34-1
C_ID C00039370 ,
InChIKey MMHOLLXRINBWBA-DTVHLCKFNA-N
InChICode InChI=1S/C30H46O3/c1-25(2)14-15-27(5)11-8-19-28(6)12-9-18-26(3,4)23-16-22(31)30(18,24(32)33-23)20(28)10-13-29(19,7)21(27)17-25/h8,18,20-21,23-24,32H,9-17H2,1-7H3/t18-,20-,21+,23-,24-,27-,28-,29+,30+/m0/s1
SMILES C1(CC[C@]2([C@@H](C1)[C@]1(C(=CC2)[C@]2([C@H](CC1)[C@@]13[C@@H](CC2)C([C@@H](O[C@@H]1O)CC3=O)(C)C)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePtilidiaceaePtilidium ciliare Ref.
PlantaeScapaniaceaeBarbilophozia barbata Ref.
PlantaeScapaniaceaeBarbilophozia hatcheri Ref.
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OrganismBarbilophozia hatcheri
ReferenceNagashima,Phytochem.,51,(1999),563