input word = C00034974

Metabolite InformationStructural formula
Name Habenariol
Formula C22H26O7
Mw 402.16785319
CAS RN 216752-89-5
C_ID C00034974 ,
InChIKey WZSYKXFASPJXRX-RXCLYQIXNA-N
InChICode InChI=1S/C22H26O7/c1-3-15(2)22(27,21(26)29-14-17-6-10-19(24)11-7-17)12-20(25)28-13-16-4-8-18(23)9-5-16/h4-11,15,23-24,27H,3,12-14H2,1-2H3/t15-,22-/m0/s1
SMILES c1(ccc(cc1)COC(=O)[C@](CC(=O)OCc1ccc(cc1)O)([C@@H](C)CC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLinderniaceaeMicranthemum umbrosum Ref.
PlantaeOrchidaceaeHabenaria repens Ref.
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