input word = C00023161

Metabolite InformationStructural formula
Name Pyrrhoxanthinol
Formula C37H46O5
Mw 570.33452458
CAS RN 54369-11-8
C_ID C00023161 ,
InChIKey JPHOIGCQEIPBBI-QGWXZNNLNA-N
InChICode InChI=1S/C37H46O5/c1-25(15-16-32-27(3)20-29(38)22-34(32,4)5)13-11-9-10-12-14-26(2)19-31-21-28(33(40)41-31)17-18-37-35(6,7)23-30(39)24-36(37,8)42-37/h9-14,17-19,21,29-30,38-39H,20,22-24H2,1-8H3/b11-9+,12-10+,18-17+,25-13+,26-14+,31-19-/t29-,30+,36-,37+/m1/s1
SMILES CC1=C(C#C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)C(C)(C)C[C@H](O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCorbiculidaeCorbicula japonica Ref.
--Gyrodinium dorsum Ref.
--Mytilus coruscus Ref.
--Mytilus edulis Ref.
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OrganismCorbicula japonica
ReferenceMaoka,J. Agric. Food Chem.,53,(2005),8357