input word = C00003607

Metabolite InformationStructural formula
Name Bryotoxin A
Formula C32H42O12
Mw 618.26762681
CAS RN 101329-50-4
C_ID C00003607 ,
InChIKey KWKQJZASURFCDP-ZEZVNJQQNA-N
InChICode InChI=1S/C32H42O12/c1-16-12-22(43-17(2)34)25(36)28(42-16)44-19-6-9-30(15-33)24-21(7-10-31(30,39)13-19)32(40)11-8-20(18-4-5-23(35)41-14-18)29(32,3)27(38)26(24)37/h4-5,14-16,19-22,24-26,28,36-37,39-40H,6-13H2,1-3H3/t16-,19-,20+,21+,22-,24+,25+,26-,28-,29-,30-,31-,32-/m0/s1
SMILES C1[C@@H](C[C@@]2([C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](C(=O)[C@H]1O)([C@H](CC2)c1ccc(=O)oc1)C)O)C=O)O)O[C@H]1[C@@H]([C@H](C[C@@H](O1)C)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeBryophyllum tubiflorum Ref.
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