input word = C00037430

Metabolite InformationStructural formula
Name Longikaurin D
Formula C22H30O7
Mw 406.19915331
CAS RN 77967-61-4
C_ID C00037430 ,
InChIKey XQPBZGQNCZAVQT-ACZNBXFENA-N
InChICode InChI=1S/C22H30O7/c1-11-13-7-14(24)15-20-6-4-5-19(3,9-28-12(2)23)16(20)18(26)22(27,29-10-20)21(15,8-13)17(11)25/h13-16,18,24,26-27H,1,4-10H2,2-3H3/t13-,14-,15+,16-,18+,19+,20-,21+,22-/m1/s1
SMILES C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[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 enanderianus Ref.
PlantaeLabiataeIsodon japonicus Ref.
PlantaeLabiataeIsodon xerophilus Ref.
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