input word = C00037236

Metabolite InformationStructural formula
Name Haplotubine
Formula C23H29NO6
Mw 415.19948767
CAS RN 352320-43-5
C_ID C00037236 ,
InChIKey PTGOUHPHIRZGKO-GXDHUFHONA-N
InChICode InChI=1S/C23H29NO6/c1-14(6-9-18(25)23(2,3)26)10-12-29-17-8-7-15-19(21(17)28-5)24-22-16(11-13-30-22)20(15)27-4/h7-8,10-11,13,18,25-26H,6,9,12H2,1-5H3/b14-10+/t18-/m0/s1
SMILES c1(ccc2c(c1OC)nc1c(c2OC)cco1)OC/C=C(/CC[C@@H](C(O)(C)C)O)\C
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHaplophyllum tuberculatum (Forssk.) Al Juss. Ref.
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