input word = C00043046

Metabolite InformationStructural formula
Name Stypohydroperoxide
Formula C27H40O6
Mw 460.28248901
CAS RN 863548-88-3
C_ID C00043046 ,
InChIKey XMTMOTDCSZUWHY-QXPJAGEDNA-N
InChICode InChI=1S/C27H40O6/c1-15-13-17(28)21(30)26(33-31)14-27(32-22(15)26)16(2)7-8-19-24(5)11-10-20(29)23(3,4)18(24)9-12-25(19,27)6/h13,16,18-20,28-29,31H,7-12,14H2,1-6H3/t16-,18-,19-,20-,24-,25-,26-,27-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@H]1[C@](CC2)([C@]2([C@H](CC1)C)OC1=C(C=C(C(=O)[C@]1(C2)OO)O)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataDictyotaceaeStypopodium flabelliforme Ref.
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OrganismStypopodium flabelliforme
ReferenceSabry,J.Nat.Prod.,68,(2005),1022