input word = C00051355

Metabolite InformationStructural formula
Name Lycernuic acid B
Formula C30H48O5
Mw 488.35017464
CAS RN 53755-78-5
C_ID C00051355
InChIKey VNVCUEDCOPDGDF-LMYFCGCUNA-N
InChICode InChI=1S/C30H48O5/c1-26-13-10-22-28(3,15-12-24(33)30(22,5)25(34)35)20(26)9-7-19-18(16-26)6-8-21-27(19,2)14-11-23(32)29(21,4)17-31/h6,19-24,31-33H,7-17H2,1-5H3,(H,34,35)/t19-,20-,21+,22+,23+,24-,26-,27+,28+,29+,30+/m0/s1
SMILES C[C@@]12CC[C@@H]3[C@](C)(CC[C@H](O)[C@]3(C)OC=O)[C@H]1CC[C@H]1C(=CC[C@@H]3[C@]1(C)CC[C@@H](O)[C@]3(C)CO)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLycopodiaceaeLycopodium cernuum Ref.
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OrganismLycopodium cernuum
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Zhang, et al., Journal of Natural Products, 65, (2002), 979