input word = C00045821

Metabolite InformationStructural formula
Name Daldinialanone
(+)-Daldinialanone
Formula C30H46O2
Mw 438.34978071
CAS RN 479669-78-8
C_ID C00045821 ,
InChIKey UHHCPWWWCZXVHN-OWLWTPCNNA-N
InChICode InChI=1S/C30H46O2/c1-19(2)9-11-24(31)20(3)21-13-17-30(8)23-10-12-25-27(4,5)26(32)15-16-28(25,6)22(23)14-18-29(21,30)7/h9-10,14,20-21,24-25,31H,11-13,15-18H2,1-8H3/t20-,21+,24+,25+,28+,29+,30-/m0/s1
SMILES C1C(=O)C([C@@H]2[C@](C1)(C1=CC[C@]3([C@](C1=CC2)(CC[C@@H]3[C@@H]([C@@H](CC=C(C)C)O)C)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiXylariaceaeDaldinia concentrica Ref.
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OrganismDaldinia concentrica
ReferenceQuang,J.Nat.Prod.,65,(2002),1869