input word = C00037429

Metabolite InformationStructural formula
Name Longikaurin B
Formula C22H30O7
Mw 406.19915331
CAS RN 75207-66-8
C_ID C00037429 ,
InChIKey JMCGQPHJXFUMBU-MJXRIREQNA-N
InChICode InChI=1S/C22H30O7/c1-11-13-5-6-14-20-8-4-7-19(3,9-28-12(2)23)15(20)18(26)22(27,29-10-20)21(14,16(11)24)17(13)25/h13-15,17-18,25-27H,1,4-10H2,2-3H3/t13-,14-,15+,17+,18-,19-,20+,21-,22+/m0/s1
SMILES C=C1C(=O)[C@]23C(O)[C@H]1CC[C@H]2[C@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@H](O)[C@@]3(O)OC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon japonicus Ref.
PlantaeLabiataeIsodon xerophilus Ref.
PlantaeLabiataeIsodon xerophylus Ref.
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