input word = C00022930

Metabolite InformationStructural formula
Name (3S,4R,5S,6S,3'S,4'R,5'S,6'S)-5,6,5',6'-tetrahydro-beta,beta-carotene-3,4,3',4'-tetrol
Formula C40H60O4
Mw 604.4491604
CAS RN 98502-74-0
C_ID C00022930 ,
InChIKey JRDOTPFGWVUYGC-UHNFFZEDNA-N
InChICode InChI=1S/C40H60O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,31-38,41-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t31-,32-,33-,34-,35-,36-,37+,38+/m0/s1
SMILES CC(/C=C/C=C(C)/C=C/[C@H]1[C@H](C)[C@@H](O)[C@@H](O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=C[C@H]1[C@H](C)[C@@H](O)[C@@H](O)CC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaFasciolariidaeFusinus perplexus Ref.
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