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 CC1=C2O[C@@]3(CC2(OO)C(=O)C(O)=C1)[C@@H](C)CC[C@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@@]13C
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