input word = C00006576

Metabolite InformationStructural formula
Name Claussequinone-(4->5')-vestitol
Formula C32H28O9
Mw 556.17333249
CAS RN 100478-03-3
C_ID C00006576 ,
InChIKey QHKFQVVYWCUFBR-IQESBFKONA-N
InChICode InChI=1S/C32H28O9/c1-38-29-12-25(35)21(17-7-16-3-4-18(33)8-28(16)40-14-17)10-23(29)32-20-6-5-19(34)9-30(20)41-15-24(32)22-11-27(37)31(39-2)13-26(22)36/h3-6,8-13,17,24,32-35H,7,14-15H2,1-2H3/t17-,24-,32-/m0/s1
SMILES c1(ccc2c(c1)OC[C@H]([C@@H]2c1c(cc(c(c1)[C@@H]1COc2c(C1)ccc(c2)O)O)OC)C1=CC(=O)C(=CC1=O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDalbergia odorifera Ref.
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