input word = C00052331

Metabolite InformationStructural formula
Name Katimborine
Formula C22H29NO11
Mw 483.17406078
CAS RN 1338601-67-4
C_ID C00052331
InChIKey ASAXLUXKTGJUKN-YVYUVSTNSA-N
InChICode InChI=1S/C22H29NO11/c1-9-15(26)17(28)19(30)21(31-9)34-20-18(29)16(27)13(8-24)33-22(20)32-12-7-14(25)23(2)11-6-4-3-5-10(11)12/h3-7,9,13,15-22,24,26-30H,8H2,1-2H3/t9-,13+,15-,16+,17+,18-,19+,20?,21-,22+/m0/s1
SMILES C[C@@H]1O[C@@H](OC2[C@H](Oc3cc(=O)n(C)c4ccccc34)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Citropsis articulata Ref.
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