input word = C00023254

Metabolite InformationStructural formula
Name (8'R)-Neochrome
Formula C40H56O4
Mw 600.41786028
CAS RN 59491-56-4
C_ID C00023254 ,
InChIKey ZVKXPPXCNUMUOR-KJZMRKPMNA-N
InChICode InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)26-39(35,9)43)15-11-12-16-29(2)19-14-20-31(4)34-23-36-38(7,8)25-33(42)27-40(36,10)44-34/h11-21,23,32-34,41-43H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t22-,32+,33+,34-,39-,40-/m1/s1
SMILES C(=C=C1C(C[C@@H](C[C@@]1(C)O)O)(C)C)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/[C@H]1C=C2C(C[C@@H](C[C@]2(O1)C)O)(C)C)\C)\C)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
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OrganismPsidium guajava
ReferenceMercadante,J. Agric. Food Chem.,47,(1999),145