input word = C00022843

Metabolite InformationStructural formula
Name Aaptopurpurin
3-Methoxy-beta,khi-carotene
Formula C41H54O
Mw 562.41746634
CAS RN 100288-41-3
C_ID C00022843 ,
InChIKey RHCKURBVJKJSII-CVFYESQANA-N
InChICode InChI=1S/C41H54O/c1-30(18-14-20-32(3)22-25-38-26-24-34(5)36(7)37(38)8)16-12-13-17-31(2)19-15-21-33(4)23-27-40-35(6)28-39(42-11)29-41(40,9)10/h12-27,39H,28-29H2,1-11H3/b13-12+,18-14+,19-15+,25-22+,27-23+,30-16+,31-17+,32-20+,33-21+/t39-/m0/s1
SMILES C1[C@H](CC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/c1c(c(c(cc1)C)C)C)\C)\C)/C)/C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaSuberitidaeAaptos aaptos Ref.
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