input word = C00050828

Metabolite InformationStructural formula
Name Inflexarabdonin C
(-)-Inflexarabdonin C
Formula C22H30O5
Mw 374.20932407
CAS RN 124960-83-4
C_ID C00050828
InChIKey HLCYOGGWAXHDHK-ZRGBZWQONA-N
InChICode InChI=1S/C22H30O5/c1-11-13-8-14(24)18-21(5)7-6-16(27-12(2)23)20(3,4)17(21)15(25)10-22(18,9-13)19(11)26/h13-14,16-18,24H,1,6-10H2,2-5H3/t13-,14+,16+,17-,18+,21-,22+/m1/s1
SMILES C=C1C(=O)[C@@]23CC(=O)[C@@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]4(C)[C@@H]2[C@@H](O)C[C@@H]1C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon inflexa Ref.
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