input word = C00003628

Metabolite InformationStructural formula
Name Lanceotoxin A
Formula C32H44O12
Mw 620.28327687
CAS RN 93771-82-5
C_ID C00003628 ,
InChIKey IDZGCABQJKWSHL-PGDPEEDUNA-N
InChICode InChI=1S/C32H44O12/c1-17(34)25(37)26(38)27(39)28(40)43-20-6-11-30(16-33)22-7-10-29(3)21(19-4-5-24(36)42-15-19)9-13-32(29,41)23(22)8-12-31(30,14-20)44-18(2)35/h4-5,15-17,20-23,25-27,34,37-39,41H,6-14H2,1-3H3/t17-,20-,21+,22-,23+,25-,26+,27+,29+,30-,31-,32-/m0/s1
SMILES C1[C@@H](C[C@@]2([C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)c1ccc(=O)oc1)C)O)C=O)OC(=O)C)OC(=O)[C@@H]([C@@H]([C@H]([C@H](C)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeKalanchoe lanceolata Ref.
--Kalonchoe lanceolata Ref.
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