input word = C00042363

Metabolite InformationStructural formula
Name Cereotagaloperoxide
Formula C30H52O4
Mw 476.38656015
CAS RN 57082-36-7
C_ID C00042363 ,
InChIKey DSOJBUJYPBMGGO-FXKURZHCNA-N
InChICode InChI=1S/C30H52O4/c1-19(2)22(34-33)12-18-30(8,32)21-11-16-28(6)20(21)9-10-24-27(5)15-14-25(31)26(3,4)23(27)13-17-29(24,28)7/h20-25,31-33H,1,9-18H2,2-8H3/t20-,21+,22+,23+,24-,25+,27+,28-,29-,30+/m1/s1
SMILES C1[C@H]2[C@]([C@]3([C@H](C1)[C@H](CC3)[C@](CC[C@@H](C(=C)C)OO)(O)C)C)(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhizophoraceaeCeriops tagal Ref.
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OrganismCeriops tagal
ReferencePekhathirathien,J.Nat.Prod.,68,(2005),1787