input word = C00023003

Metabolite InformationStructural formula
Name Pectenolone
7',8'-Didehydro-3,3'-dihydroxy-beta,beta-caroten-4-one
Formula C40H52O3
Mw 580.39164553
CAS RN 16913-24-9
C_ID C00023003 ,
InChIKey ANEICJWUPVGZBQ-BZRQZXBNNA-N
InChICode InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-20,22,24,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37+/m1/s1
SMILES CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPectinidaePecten maximus Ref.
AnimaliaPyuridaeHalocynthia roretzi Ref.
AnimaliaStyelidaeStyela clava Ref.
--Mizuhopecten yessoensis Ref.
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