input word = C00022921

Metabolite InformationStructural formula
Name Nostoxanthin
(2R,3R,2'R,3'R)-beta,beta-Carotene-2,3,2',3'-tetrol
Formula C40H56O4
Mw 600.41786028
CAS RN 29307-44-6
C_ID C00022921 ,
InChIKey JVPASJUYZJKFHY-ATKQSXCXNA-N
InChICode InChI=1S/C40H56O4/c1-27(17-13-19-29(3)21-23-33-31(5)25-35(41)37(43)39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)26-36(42)38(44)40(34,9)10/h11-24,35-38,41-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-,37+,38+/m1/s1
SMILES C1[C@H]([C@@H](C(C(=C1C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C[C@H]([C@@H](C1(C)C)O)O)C)/C)/C)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMicrocystaceaeAnacystis nidulans Ref.
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