input word = C00003629

Metabolite InformationStructural formula
Name Lanceotoxin B
Formula C32H44O11
Mw 604.28836225
CAS RN 93801-98-3
C_ID C00003629 ,
InChIKey IKNIMVNUBXHADS-OBKQSYKANA-N
InChICode InChI=1S/C32H44O11/c1-17-25(36)26(37)27(38)28(41-17)42-20-6-11-30(16-33)22-7-10-29(3)21(19-4-5-24(35)40-15-19)9-13-32(29,39)23(22)8-12-31(30,14-20)43-18(2)34/h4-5,15-17,20-23,25-28,36-39H,6-14H2,1-3H3/t17-,20+,21-,22+,23-,25+,26+,27-,28-,29-,30+,31+,32+/m1/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)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeKalanchoe lanceolata Ref.
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