input word = C00045517

Metabolite InformationStructural formula
Name 14'-Hydroxymytoxin B
(+)-14'-Hydroxymytoxin B
Formula C29H36O10
Mw 544.23084737
CAS RN 436144-42-2
C_ID C00045517 ,
InChIKey NXTLPIJHYLFGEX-LLHLADNDNA-N
InChICode InChI=1S/C29H36O10/c1-17-6-9-27-15-35-24(33)12-18-7-10-36-28(25(18)34,19(31)14-30)8-4-3-5-23(32)39-20-13-22(38-21(27)11-17)29(16-37-29)26(20,27)2/h3,5,11-12,20-22,25,30,34H,4,6-10,13-16H2,1-2H3/b5-3+,18-12+/t20-,21-,22-,25-,26-,27-,28-,29+/m1/s1
SMILES C1C(=C[C@@H]2[C@]3(C1)[C@@]1([C@]4([C@H](O2)C[C@H]1OC(=O)/C=C/CC[C@@]1(OCC/C(=C\C(=O)OC3)/[C@H]1O)C(=O)CO)OC4)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium roridum Ref.
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OrganismMyrothecium roridum
ReferenceAlvi,J.Nat.Prod.,65,(2002),742