input word = C00022816

Metabolite InformationStructural formula
Name Isorenieratene
phi,phi-Carotene
Formula C40H48
Mw 528.37560153
CAS RN 524-01-6
C_ID C00022816 ,
InChIKey ZCIHMQAPACOQHT-YSEOPJLNSA-N
InChICode InChI=1S/C40H48/c1-29(17-13-19-31(3)21-27-39-35(7)25-23-33(5)37(39)9)15-11-12-16-30(2)18-14-20-32(4)22-28-40-36(8)26-24-34(6)38(40)10/h11-28H,1-10H3/b12-11+,17-13+,18-14+,27-21+,28-22+,29-15+,30-16+,31-19+,32-20+
SMILES c1(ccc(c(c1C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/c1c(c(ccc1C)C)C)\C)\C)/C)/C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas schmidti Ref.
AnimaliaSuberitidaeSuberites sericeus Ref.
BacteriaBrevibacteriaceaeBrevibacterium linens Ref.
--Reniera japonica Ref.
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