input word = C00050924

Metabolite InformationStructural formula
Name Isodotricin
Formula C21H30O7
Mw 394.19915331
CAS RN 10391-10-3
C_ID C00050924
InChIKey NIYCKNJQFGDPOP-RKENDJDXNA-N
InChICode InChI=1S/C21H30O7/c1-19(2)13(22)6-14-21(9-27-17(24)15(19)21)12-5-4-10-7-20(12,18(25)28-14)16(23)11(10)8-26-3/h10-15,17,22,24H,4-9H2,1-3H3/t10-,11+,12+,13-,14-,15+,17+,20+,21+/m0/s1
SMILES COC[C@H]1C(=O)[C@@]23C[C@@H]1CC[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)[C@@H](O)C[C@@H]2OC3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon japonica Ref.
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