input word = C00057757

Metabolite InformationStructural formula
Name Speciosaperoxide
Formula C32H50O6
Mw 530.36073933
CAS RN 1071926-23-2
C_ID C00057757
InChIKey DIXPDWXERFUNQD-WNUIQTPPSA-N
InChICode InChI=1S/C32H50O6/c1-18-9-14-32(27(34)35)16-15-30(7)21(25(32)19(18)2)17-22(38-36)26-29(6)12-11-24(37-20(3)33)28(4,5)23(29)10-13-31(26,30)8/h17-19,22-26,36H,9-16H2,1-8H3,(H,34,35)/t18-,19+,22-,23+,24+,25+,26-,29+,30-,31-,32+/m1/s1
SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@H](OO)C=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeChaenomeles speciosa Ref.
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